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/Asp-GTC-1_ENSG000000-f51776e9/inputs/seq.fa first_line: R R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Asp-GTC-1_ENSG000000-f51776e9/inputs/seq.fa: 2 curr_seq: _UCCUCGGUGGUAUAGUGGUGAGUAUCUCCGCCUGUC_ curr_seq: _UGUUUUAUAACAGUUUGUUUGAAUUUACUUACAGUUAAAAAAUUUAAAUAUAUUUAUGUUUGUACGAAAUCUUAUUUCAAUAGAUGGAAAUUUUAAUUUUUUUUUCCUUCAUGUUGCAGGGUUUGGGGUGGGGAUACUUUCAUUGUAGAGGUAGUUUAUUAGACUCAUAAAUCACAUGCU_ chainIds_rna: _AB_, chainIds_protein: __ chainId: A, chainSeq: UCCUCGGUGGUAUAGUGGUGAGUAUCUCCGCCUGUC chainId: B, chainSeq: UGUUUUAUAACAGUUUGUUUGAAUUUACUUACAGUUAAAAAAUUUAAAUAUAUUUAUGUUUGUACGAAAUCUUAUUUCAAUAGAUGGAAAUUUUAAUUUUUUUUUCCUUCAUGUUGCAGGGUUUGGGGUGGGGAUACUUUCAUUGUAGAGGUAGUUUAUUAGACUCAUAAAUCACAUGCU 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 36 nucleotides chain B contains 180 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: 1090 n_atoms_counter: 1090 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 void RNAStructure::setLimitingSphereRadius(double limitingSphereRadius): limiting sphere radius value: 216.000000 was provided by the user EntireStructure::rnaStruct limitingSphereRadius : 216.000000 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/Asp-GTC-1_ENSG000000-f51776e9/inputs/seq.fa first_line: R R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Asp-GTC-1_ENSG000000-f51776e9/inputs/seq.fa: 2 curr_seq: _UCCUCGGUGGUAUAGUGGUGAGUAUCUCCGCCUGUC_ curr_seq: _UGUUUUAUAACAGUUUGUUUGAAUUUACUUACAGUUAAAAAAUUUAAAUAUAUUUAUGUUUGUACGAAAUCUUAUUUCAAUAGAUGGAAAUUUUAAUUUUUUUUUCCUUCAUGUUGCAGGGUUUGGGGUGGGGAUACUUUCAUUGUAGAGGUAGUUUAUUAGACUCAUAAAUCACAUGCU_ chainIds_rna: _AB_, chainIds_protein: __ chainId: A, chainSeq: UCCUCGGUGGUAUAGUGGUGAGUAUCUCCGCCUGUC chainId: B, chainSeq: UGUUUUAUAACAGUUUGUUUGAAUUUACUUACAGUUAAAAAAUUUAAAUAUAUUUAUGUUUGUACGAAAUCUUAUUUCAAUAGAUGGAAAUUUUAAUUUUUUUUUCCUUCAUGUUGCAGGGUUUGGGGUGGGGAUACUUUCAUUGUAGAGGUAGUUUAUUAGACUCAUAAAUCACAUGCU 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 36 nucleotides chain B contains 180 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: 1090 n_atoms_counter: 1090 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 void RNAStructure::setLimitingSphereRadius(double limitingSphereRadius): limiting sphere radius value: 216.000000 was provided by the user EntireStructure::rnaStruct limitingSphereRadius : 216.000000 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/Asp-GTC-1_ENSG000000-f51776e9/inputs/seq.fa first_line: R R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Asp-GTC-1_ENSG000000-f51776e9/inputs/seq.fa: 2 curr_seq: _UCCUCGGUGGUAUAGUGGUGAGUAUCUCCGCCUGUC_ curr_seq: _UGUUUUAUAACAGUUUGUUUGAAUUUACUUACAGUUAAAAAAUUUAAAUAUAUUUAUGUUUGUACGAAAUCUUAUUUCAAUAGAUGGAAAUUUUAAUUUUUUUUUCCUUCAUGUUGCAGGGUUUGGGGUGGGGAUACUUUCAUUGUAGAGGUAGUUUAUUAGACUCAUAAAUCACAUGCU_ chainIds_rna: _AB_, chainIds_protein: __ chainId: A, chainSeq: UCCUCGGUGGUAUAGUGGUGAGUAUCUCCGCCUGUC chainId: B, chainSeq: UGUUUUAUAACAGUUUGUUUGAAUUUACUUACAGUUAAAAAAUUUAAAUAUAUUUAUGUUUGUACGAAAUCUUAUUUCAAUAGAUGGAAAUUUUAAUUUUUUUUUCCUUCAUGUUGCAGGGUUUGGGGUGGGGAUACUUUCAUUGUAGAGGUAGUUUAUUAGACUCAUAAAUCACAUGCU 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 36 nucleotides chain B contains 180 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: 1090 n_atoms_counter: 1090 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 void RNAStructure::setLimitingSphereRadius(double limitingSphereRadius): limiting sphere radius value: 216.000000 was provided by the user EntireStructure::rnaStruct limitingSphereRadius : 216.000000 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/Asp-GTC-1_ENSG000000-f51776e9/inputs/seq.fa first_line: R R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Asp-GTC-1_ENSG000000-f51776e9/inputs/seq.fa: 2 curr_seq: _UCCUCGGUGGUAUAGUGGUGAGUAUCUCCGCCUGUC_ curr_seq: _UGUUUUAUAACAGUUUGUUUGAAUUUACUUACAGUUAAAAAAUUUAAAUAUAUUUAUGUUUGUACGAAAUCUUAUUUCAAUAGAUGGAAAUUUUAAUUUUUUUUUCCUUCAUGUUGCAGGGUUUGGGGUGGGGAUACUUUCAUUGUAGAGGUAGUUUAUUAGACUCAUAAAUCACAUGCU_ chainIds_rna: _AB_, chainIds_protein: __ chainId: A, chainSeq: UCCUCGGUGGUAUAGUGGUGAGUAUCUCCGCCUGUC chainId: B, chainSeq: UGUUUUAUAACAGUUUGUUUGAAUUUACUUACAGUUAAAAAAUUUAAAUAUAUUUAUGUUUGUACGAAAUCUUAUUUCAAUAGAUGGAAAUUUUAAUUUUUUUUUCCUUCAUGUUGCAGGGUUUGGGGUGGGGAUACUUUCAUUGUAGAGGUAGUUUAUUAGACUCAUAAAUCACAUGCU 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 36 nucleotides chain B contains 180 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: 1090 n_atoms_counter: 1090 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 void RNAStructure::setLimitingSphereRadius(double limitingSphereRadius): limiting sphere radius value: 216.000000 was provided by the user EntireStructure::rnaStruct limitingSphereRadius : 216.000000 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/Asp-GTC-1_ENSG000000-f51776e9/inputs/seq.fa first_line: R R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Asp-GTC-1_ENSG000000-f51776e9/inputs/seq.fa: 2 curr_seq: _UCCUCGGUGGUAUAGUGGUGAGUAUCUCCGCCUGUC_ curr_seq: _UGUUUUAUAACAGUUUGUUUGAAUUUACUUACAGUUAAAAAAUUUAAAUAUAUUUAUGUUUGUACGAAAUCUUAUUUCAAUAGAUGGAAAUUUUAAUUUUUUUUUCCUUCAUGUUGCAGGGUUUGGGGUGGGGAUACUUUCAUUGUAGAGGUAGUUUAUUAGACUCAUAAAUCACAUGCU_ chainIds_rna: _AB_, chainIds_protein: __ chainId: A, chainSeq: UCCUCGGUGGUAUAGUGGUGAGUAUCUCCGCCUGUC chainId: B, chainSeq: UGUUUUAUAACAGUUUGUUUGAAUUUACUUACAGUUAAAAAAUUUAAAUAUAUUUAUGUUUGUACGAAAUCUUAUUUCAAUAGAUGGAAAUUUUAAUUUUUUUUUCCUUCAUGUUGCAGGGUUUGGGGUGGGGAUACUUUCAUUGUAGAGGUAGUUUAUUAGACUCAUAAAUCACAUGCU 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 36 nucleotides chain B contains 180 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: 1090 n_atoms_counter: 1090 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 void RNAStructure::setLimitingSphereRadius(double limitingSphereRadius): limiting sphere radius value: 216.000000 was provided by the user EntireStructure::rnaStruct limitingSphereRadius : 216.000000 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/Asp-GTC-1_ENSG000000-f51776e9/inputs/seq.fa first_line: R R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Asp-GTC-1_ENSG000000-f51776e9/inputs/seq.fa: 2 curr_seq: _UCCUCGGUGGUAUAGUGGUGAGUAUCUCCGCCUGUC_ curr_seq: _UGUUUUAUAACAGUUUGUUUGAAUUUACUUACAGUUAAAAAAUUUAAAUAUAUUUAUGUUUGUACGAAAUCUUAUUUCAAUAGAUGGAAAUUUUAAUUUUUUUUUCCUUCAUGUUGCAGGGUUUGGGGUGGGGAUACUUUCAUUGUAGAGGUAGUUUAUUAGACUCAUAAAUCACAUGCU_ chainIds_rna: _AB_, chainIds_protein: __ chainId: A, chainSeq: UCCUCGGUGGUAUAGUGGUGAGUAUCUCCGCCUGUC chainId: B, chainSeq: UGUUUUAUAACAGUUUGUUUGAAUUUACUUACAGUUAAAAAAUUUAAAUAUAUUUAUGUUUGUACGAAAUCUUAUUUCAAUAGAUGGAAAUUUUAAUUUUUUUUUCCUUCAUGUUGCAGGGUUUGGGGUGGGGAUACUUUCAUUGUAGAGGUAGUUUAUUAGACUCAUAAAUCACAUGCU 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 36 nucleotides chain B contains 180 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: 1090 n_atoms_counter: 1090 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 void RNAStructure::setLimitingSphereRadius(double limitingSphereRadius): limiting sphere radius value: 216.000000 was provided by the user EntireStructure::rnaStruct limitingSphereRadius : 216.000000 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/Asp-GTC-1_ENSG000000-f51776e9/inputs/seq.fa first_line: R R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Asp-GTC-1_ENSG000000-f51776e9/inputs/seq.fa: 2 curr_seq: _UCCUCGGUGGUAUAGUGGUGAGUAUCUCCGCCUGUC_ curr_seq: _UGUUUUAUAACAGUUUGUUUGAAUUUACUUACAGUUAAAAAAUUUAAAUAUAUUUAUGUUUGUACGAAAUCUUAUUUCAAUAGAUGGAAAUUUUAAUUUUUUUUUCCUUCAUGUUGCAGGGUUUGGGGUGGGGAUACUUUCAUUGUAGAGGUAGUUUAUUAGACUCAUAAAUCACAUGCU_ chainIds_rna: _AB_, chainIds_protein: __ chainId: A, chainSeq: UCCUCGGUGGUAUAGUGGUGAGUAUCUCCGCCUGUC chainId: B, chainSeq: UGUUUUAUAACAGUUUGUUUGAAUUUACUUACAGUUAAAAAAUUUAAAUAUAUUUAUGUUUGUACGAAAUCUUAUUUCAAUAGAUGGAAAUUUUAAUUUUUUUUUCCUUCAUGUUGCAGGGUUUGGGGUGGGGAUACUUUCAUUGUAGAGGUAGUUUAUUAGACUCAUAAAUCACAUGCU 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 36 nucleotides chain B contains 180 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: 1090 n_atoms_counter: 1090 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 void RNAStructure::setLimitingSphereRadius(double limitingSphereRadius): limiting sphere radius value: 216.000000 was provided by the user EntireStructure::rnaStruct limitingSphereRadius : 216.000000 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/Asp-GTC-1_ENSG000000-f51776e9/inputs/seq.fa first_line: R R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Asp-GTC-1_ENSG000000-f51776e9/inputs/seq.fa: 2 curr_seq: _UCCUCGGUGGUAUAGUGGUGAGUAUCUCCGCCUGUC_ curr_seq: _UGUUUUAUAACAGUUUGUUUGAAUUUACUUACAGUUAAAAAAUUUAAAUAUAUUUAUGUUUGUACGAAAUCUUAUUUCAAUAGAUGGAAAUUUUAAUUUUUUUUUCCUUCAUGUUGCAGGGUUUGGGGUGGGGAUACUUUCAUUGUAGAGGUAGUUUAUUAGACUCAUAAAUCACAUGCU_ chainIds_rna: _AB_, chainIds_protein: __ chainId: A, chainSeq: UCCUCGGUGGUAUAGUGGUGAGUAUCUCCGCCUGUC chainId: B, chainSeq: UGUUUUAUAACAGUUUGUUUGAAUUUACUUACAGUUAAAAAAUUUAAAUAUAUUUAUGUUUGUACGAAAUCUUAUUUCAAUAGAUGGAAAUUUUAAUUUUUUUUUCCUUCAUGUUGCAGGGUUUGGGGUGGGGAUACUUUCAUUGUAGAGGUAGUUUAUUAGACUCAUAAAUCACAUGCU 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 36 nucleotides chain B contains 180 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: 1090 n_atoms_counter: 1090 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 void RNAStructure::setLimitingSphereRadius(double limitingSphereRadius): limiting sphere radius value: 216.000000 was provided by the user EntireStructure::rnaStruct limitingSphereRadius : 216.000000 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/Asp-GTC-1_ENSG000000-f51776e9/inputs/seq.fa first_line: R R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Asp-GTC-1_ENSG000000-f51776e9/inputs/seq.fa: 2 curr_seq: _UCCUCGGUGGUAUAGUGGUGAGUAUCUCCGCCUGUC_ curr_seq: _UGUUUUAUAACAGUUUGUUUGAAUUUACUUACAGUUAAAAAAUUUAAAUAUAUUUAUGUUUGUACGAAAUCUUAUUUCAAUAGAUGGAAAUUUUAAUUUUUUUUUCCUUCAUGUUGCAGGGUUUGGGGUGGGGAUACUUUCAUUGUAGAGGUAGUUUAUUAGACUCAUAAAUCACAUGCU_ chainIds_rna: _AB_, chainIds_protein: __ chainId: A, chainSeq: UCCUCGGUGGUAUAGUGGUGAGUAUCUCCGCCUGUC chainId: B, chainSeq: UGUUUUAUAACAGUUUGUUUGAAUUUACUUACAGUUAAAAAAUUUAAAUAUAUUUAUGUUUGUACGAAAUCUUAUUUCAAUAGAUGGAAAUUUUAAUUUUUUUUUCCUUCAUGUUGCAGGGUUUGGGGUGGGGAUACUUUCAUUGUAGAGGUAGUUUAUUAGACUCAUAAAUCACAUGCU 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 36 nucleotides chain B contains 180 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: 1090 n_atoms_counter: 1090 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 void RNAStructure::setLimitingSphereRadius(double limitingSphereRadius): limiting sphere radius value: 216.000000 was provided by the user EntireStructure::rnaStruct limitingSphereRadius : 216.000000 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/Asp-GTC-1_ENSG000000-f51776e9/inputs/seq.fa first_line: R R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Asp-GTC-1_ENSG000000-f51776e9/inputs/seq.fa: 2 curr_seq: _UCCUCGGUGGUAUAGUGGUGAGUAUCUCCGCCUGUC_ curr_seq: _UGUUUUAUAACAGUUUGUUUGAAUUUACUUACAGUUAAAAAAUUUAAAUAUAUUUAUGUUUGUACGAAAUCUUAUUUCAAUAGAUGGAAAUUUUAAUUUUUUUUUCCUUCAUGUUGCAGGGUUUGGGGUGGGGAUACUUUCAUUGUAGAGGUAGUUUAUUAGACUCAUAAAUCACAUGCU_ chainIds_rna: _AB_, chainIds_protein: __ chainId: A, chainSeq: UCCUCGGUGGUAUAGUGGUGAGUAUCUCCGCCUGUC chainId: B, chainSeq: UGUUUUAUAACAGUUUGUUUGAAUUUACUUACAGUUAAAAAAUUUAAAUAUAUUUAUGUUUGUACGAAAUCUUAUUUCAAUAGAUGGAAAUUUUAAUUUUUUUUUCCUUCAUGUUGCAGGGUUUGGGGUGGGGAUACUUUCAUUGUAGAGGUAGUUUAUUAGACUCAUAAAUCACAUGCU 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 36 nucleotides chain B contains 180 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: 1090 n_atoms_counter: 1090 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 void RNAStructure::setLimitingSphereRadius(double limitingSphereRadius): limiting sphere radius value: 216.000000 was provided by the user EntireStructure::rnaStruct limitingSphereRadius : 216.000000 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: -865.519643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -865.519643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -865.519643 (E_RNA) where: Base-Base interactions energy: -24.386 where: short stacking energy: -24.386 Base-Backbone interact. energy: -0.000 local terms energy: -841.133035 where: bonds (distance) C4'-P energy: -209.861 bonds (distance) P-C4' energy: -195.034 flat angles C4'-P-C4' energy: -158.593 flat angles P-C4'-P energy: -181.413 tors. eta vs tors. theta energy: -96.232 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 1 Temperature: 0.950000 Total energy: -865.519643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -865.519643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -865.519643 (E_RNA) where: Base-Base interactions energy: -24.386 where: short stacking energy: -24.386 Base-Backbone interact. energy: -0.000 local terms energy: -841.133035 where: bonds (distance) C4'-P energy: -209.861 bonds (distance) P-C4' energy: -195.034 flat angles C4'-P-C4' energy: -158.593 flat angles P-C4'-P energy: -181.413 tors. eta vs tors. theta energy: -96.232 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 1 Temperature: 1.000000 Total energy: -865.519643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -865.519643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -865.519643 (E_RNA) where: Base-Base interactions energy: -24.386 where: short stacking energy: -24.386 Base-Backbone interact. energy: -0.000 local terms energy: -841.133035 where: bonds (distance) C4'-P energy: -209.861 bonds (distance) P-C4' energy: -195.034 flat angles C4'-P-C4' energy: -158.593 flat angles P-C4'-P energy: -181.413 tors. eta vs tors. theta energy: -96.232 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 1 Temperature: 1.050000 Total energy: -865.519643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -865.519643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -865.519643 (E_RNA) where: Base-Base interactions energy: -24.386 where: short stacking energy: -24.386 Base-Backbone interact. energy: -0.000 local terms energy: -841.133035 where: bonds (distance) C4'-P energy: -209.861 bonds (distance) P-C4' energy: -195.034 flat angles C4'-P-C4' energy: -158.593 flat angles P-C4'-P energy: -181.413 tors. eta vs tors. theta energy: -96.232 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: 5 ===================================== Write number: 1 Temperature: 1.100000 Total energy: -865.519643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -865.519643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -865.519643 (E_RNA) where: Base-Base interactions energy: -24.386 where: short stacking energy: -24.386 Base-Backbone interact. energy: -0.000 local terms energy: -841.133035 where: bonds (distance) C4'-P energy: -209.861 bonds (distance) P-C4' energy: -195.034 flat angles C4'-P-C4' energy: -158.593 flat angles P-C4'-P energy: -181.413 tors. eta vs tors. theta energy: -96.232 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: 6 ===================================== Write number: 1 Temperature: 1.150000 Total energy: -865.519643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -865.519643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -865.519643 (E_RNA) where: Base-Base interactions energy: -24.386 where: short stacking energy: -24.386 Base-Backbone interact. energy: -0.000 local terms energy: -841.133035 where: bonds (distance) C4'-P energy: -209.861 bonds (distance) P-C4' energy: -195.034 flat angles C4'-P-C4' energy: -158.593 flat angles P-C4'-P energy: -181.413 tors. eta vs tors. theta energy: -96.232 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: 7 ===================================== Write number: 1 Temperature: 1.200000 Total energy: -865.519643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -865.519643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -865.519643 (E_RNA) where: Base-Base interactions energy: -24.386 where: short stacking energy: -24.386 Base-Backbone interact. energy: -0.000 local terms energy: -841.133035 where: bonds (distance) C4'-P energy: -209.861 bonds (distance) P-C4' energy: -195.034 flat angles C4'-P-C4' energy: -158.593 flat angles P-C4'-P energy: -181.413 tors. eta vs tors. theta energy: -96.232 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 1 Temperature: 1.250000 Total energy: -865.519643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -865.519643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -865.519643 (E_RNA) where: Base-Base interactions energy: -24.386 where: short stacking energy: -24.386 Base-Backbone interact. energy: -0.000 local terms energy: -841.133035 where: bonds (distance) C4'-P energy: -209.861 bonds (distance) P-C4' energy: -195.034 flat angles C4'-P-C4' energy: -158.593 flat angles P-C4'-P energy: -181.413 tors. eta vs tors. theta energy: -96.232 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 1 Temperature: 1.300000 Total energy: -865.519643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -865.519643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -865.519643 (E_RNA) where: Base-Base interactions energy: -24.386 where: short stacking energy: -24.386 Base-Backbone interact. energy: -0.000 local terms energy: -841.133035 where: bonds (distance) C4'-P energy: -209.861 bonds (distance) P-C4' energy: -195.034 flat angles C4'-P-C4' energy: -158.593 flat angles P-C4'-P energy: -181.413 tors. eta vs tors. theta energy: -96.232 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: 10 ===================================== Write number: 1 Temperature: 1.350000 Total energy: -865.519643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -865.519643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -865.519643 (E_RNA) where: Base-Base interactions energy: -24.386 where: short stacking energy: -24.386 Base-Backbone interact. energy: -0.000 local terms energy: -841.133035 where: bonds (distance) C4'-P energy: -209.861 bonds (distance) P-C4' energy: -195.034 flat angles C4'-P-C4' energy: -158.593 flat angles P-C4'-P energy: -181.413 tors. eta vs tors. theta energy: -96.232 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 2 Temperature: 0.900000 Total energy: -1000.117933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1000.117933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1000.117933 (E_RNA) where: Base-Base interactions energy: -420.792 where: short stacking energy: -396.517 Base-Backbone interact. energy: -0.236 local terms energy: -579.090078 where: bonds (distance) C4'-P energy: -136.759 bonds (distance) P-C4' energy: -147.681 flat angles C4'-P-C4' energy: -124.810 flat angles P-C4'-P energy: -81.670 tors. eta vs tors. theta energy: -88.171 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 2 Temperature: 0.950000 Total energy: -984.275605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -984.275605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -984.275605 (E_RNA) where: Base-Base interactions energy: -398.544 where: short stacking energy: -385.843 Base-Backbone interact. energy: -0.359 local terms energy: -586.546196 where: bonds (distance) C4'-P energy: -124.208 bonds (distance) P-C4' energy: -152.948 flat angles C4'-P-C4' energy: -137.192 flat angles P-C4'-P energy: -73.336 tors. eta vs tors. theta energy: -98.862 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 1.173 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 2 Temperature: 1.000000 Total energy: -876.807294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -876.807294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -876.807294 (E_RNA) where: Base-Base interactions energy: -309.547 where: short stacking energy: -305.043 Base-Backbone interact. energy: -0.329 local terms energy: -566.930921 where: bonds (distance) C4'-P energy: -136.091 bonds (distance) P-C4' energy: -136.622 flat angles C4'-P-C4' energy: -134.892 flat angles P-C4'-P energy: -86.881 tors. eta vs tors. theta energy: -72.445 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: 4 ===================================== Write number: 2 Temperature: 1.050000 Total energy: -872.423753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -872.423753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -872.423753 (E_RNA) where: Base-Base interactions energy: -51.813 where: short stacking energy: -51.813 Base-Backbone interact. energy: -0.000 local terms energy: -820.610295 where: bonds (distance) C4'-P energy: -198.134 bonds (distance) P-C4' energy: -181.557 flat angles C4'-P-C4' energy: -161.946 flat angles P-C4'-P energy: -178.612 tors. eta vs tors. theta energy: -100.362 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: 5 ===================================== Write number: 2 Temperature: 1.100000 Total energy: -877.340315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -877.340315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -877.340315 (E_RNA) where: Base-Base interactions energy: -75.545 where: short stacking energy: -75.545 Base-Backbone interact. energy: -0.000 local terms energy: -801.794854 where: bonds (distance) C4'-P energy: -191.726 bonds (distance) P-C4' energy: -174.363 flat angles C4'-P-C4' energy: -159.075 flat angles P-C4'-P energy: -174.408 tors. eta vs tors. theta energy: -102.223 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 2 Temperature: 1.150000 Total energy: -872.577529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -872.577529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -872.577529 (E_RNA) where: Base-Base interactions energy: -34.971 where: short stacking energy: -34.971 Base-Backbone interact. energy: -0.000 local terms energy: -837.606202 where: bonds (distance) C4'-P energy: -206.847 bonds (distance) P-C4' energy: -192.508 flat angles C4'-P-C4' energy: -159.941 flat angles P-C4'-P energy: -180.779 tors. eta vs tors. theta energy: -97.531 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 2 Temperature: 1.200000 Total energy: -873.528831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -873.528831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -873.528831 (E_RNA) where: Base-Base interactions energy: -36.401 where: short stacking energy: -36.401 Base-Backbone interact. energy: -0.000 local terms energy: -837.127336 where: bonds (distance) C4'-P energy: -206.847 bonds (distance) P-C4' energy: -192.251 flat angles C4'-P-C4' energy: -159.780 flat angles P-C4'-P energy: -180.779 tors. eta vs tors. theta energy: -97.471 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 2 Temperature: 1.250000 Total energy: -866.368494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -866.368494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -866.368494 (E_RNA) where: Base-Base interactions energy: -27.886 where: short stacking energy: -27.886 Base-Backbone interact. energy: -0.000 local terms energy: -838.481886 where: bonds (distance) C4'-P energy: -208.980 bonds (distance) P-C4' energy: -193.009 flat angles C4'-P-C4' energy: -158.893 flat angles P-C4'-P energy: -180.972 tors. eta vs tors. theta energy: -96.628 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 2 Temperature: 1.300000 Total energy: -866.233520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -866.233520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -866.233520 (E_RNA) where: Base-Base interactions energy: -27.886 where: short stacking energy: -27.886 Base-Backbone interact. energy: -0.000 local terms energy: -838.346912 where: bonds (distance) C4'-P energy: -208.980 bonds (distance) P-C4' energy: -193.009 flat angles C4'-P-C4' energy: -158.893 flat angles P-C4'-P energy: -180.837 tors. eta vs tors. theta energy: -96.628 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 2 Temperature: 1.350000 Total energy: -866.233520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -866.233520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -866.233520 (E_RNA) where: Base-Base interactions energy: -27.886 where: short stacking energy: -27.886 Base-Backbone interact. energy: -0.000 local terms energy: -838.346912 where: bonds (distance) C4'-P energy: -208.980 bonds (distance) P-C4' energy: -193.009 flat angles C4'-P-C4' energy: -158.893 flat angles P-C4'-P energy: -180.837 tors. eta vs tors. theta energy: -96.628 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 3 Temperature: 0.900000 Total energy: -1050.808292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1050.808292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1050.808292 (E_RNA) where: Base-Base interactions energy: -432.121 where: short stacking energy: -422.272 Base-Backbone interact. energy: -0.283 local terms energy: -618.404844 where: bonds (distance) C4'-P energy: -134.904 bonds (distance) P-C4' energy: -126.621 flat angles C4'-P-C4' energy: -144.440 flat angles P-C4'-P energy: -100.622 tors. eta vs tors. theta energy: -111.818 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 3 Temperature: 0.950000 Total energy: -926.896122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -926.896122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -926.896122 (E_RNA) where: Base-Base interactions energy: -358.049 where: short stacking energy: -349.960 Base-Backbone interact. energy: -0.348 local terms energy: -568.846031 where: bonds (distance) C4'-P energy: -122.663 bonds (distance) P-C4' energy: -143.781 flat angles C4'-P-C4' energy: -137.052 flat angles P-C4'-P energy: -82.600 tors. eta vs tors. theta energy: -82.749 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.347 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 3 Temperature: 1.000000 Total energy: -932.591898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -932.591898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -932.591898 (E_RNA) where: Base-Base interactions energy: -397.566 where: short stacking energy: -342.228 Base-Backbone interact. energy: 0.695 local terms energy: -535.720460 where: bonds (distance) C4'-P energy: -136.203 bonds (distance) P-C4' energy: -122.886 flat angles C4'-P-C4' energy: -126.904 flat angles P-C4'-P energy: -86.690 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: 4, replica: 4 ===================================== Write number: 3 Temperature: 1.050000 Total energy: -804.034935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -804.034935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -804.034935 (E_RNA) where: Base-Base interactions energy: -289.194 where: short stacking energy: -279.650 Base-Backbone interact. energy: -1.233 local terms energy: -513.607831 where: bonds (distance) C4'-P energy: -127.594 bonds (distance) P-C4' energy: -129.662 flat angles C4'-P-C4' energy: -115.629 flat angles P-C4'-P energy: -79.904 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: 5, replica: 5 ===================================== Write number: 3 Temperature: 1.100000 Total energy: -816.524533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -816.524533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -816.524533 (E_RNA) where: Base-Base interactions energy: -336.936 where: short stacking energy: -263.997 Base-Backbone interact. energy: -1.613 local terms energy: -477.975610 where: bonds (distance) C4'-P energy: -112.809 bonds (distance) P-C4' energy: -127.417 flat angles C4'-P-C4' energy: -119.982 flat angles P-C4'-P energy: -61.226 tors. eta vs tors. theta energy: -56.541 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 3 Temperature: 1.150000 Total energy: -668.688292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -668.688292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -668.688292 (E_RNA) where: Base-Base interactions energy: -220.537 where: short stacking energy: -213.261 Base-Backbone interact. energy: -0.315 local terms energy: -447.836308 where: bonds (distance) C4'-P energy: -116.793 bonds (distance) P-C4' energy: -123.524 flat angles C4'-P-C4' energy: -105.268 flat angles P-C4'-P energy: -79.648 tors. eta vs tors. theta energy: -22.604 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 3 Temperature: 1.200000 Total energy: -624.544867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -624.544867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -624.544867 (E_RNA) where: Base-Base interactions energy: -193.071 where: short stacking energy: -180.851 Base-Backbone interact. energy: -1.106 local terms energy: -430.368034 where: bonds (distance) C4'-P energy: -116.751 bonds (distance) P-C4' energy: -131.507 flat angles C4'-P-C4' energy: -115.512 flat angles P-C4'-P energy: -52.616 tors. eta vs tors. theta energy: -13.983 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: 8, replica: 9 ===================================== Write number: 3 Temperature: 1.250000 Total energy: -578.133307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -578.133307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -578.133307 (E_RNA) where: Base-Base interactions energy: -184.184 where: short stacking energy: -159.907 Base-Backbone interact. energy: 0.331 local terms energy: -394.280139 where: bonds (distance) C4'-P energy: -122.338 bonds (distance) P-C4' energy: -123.204 flat angles C4'-P-C4' energy: -116.152 flat angles P-C4'-P energy: -42.214 tors. eta vs tors. theta energy: 9.628 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 3 Temperature: 1.300000 Total energy: -526.007994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -526.007994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.007994 (E_RNA) where: Base-Base interactions energy: -163.461 where: short stacking energy: -143.923 Base-Backbone interact. energy: 1.693 local terms energy: -364.240214 where: bonds (distance) C4'-P energy: -101.391 bonds (distance) P-C4' energy: -142.587 flat angles C4'-P-C4' energy: -80.401 flat angles P-C4'-P energy: -58.638 tors. eta vs tors. theta energy: 18.777 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 3 Temperature: 1.350000 Total energy: -490.643783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -490.643783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -490.643783 (E_RNA) where: Base-Base interactions energy: -151.492 where: short stacking energy: -145.233 Base-Backbone interact. energy: -0.114 local terms energy: -339.037362 where: bonds (distance) C4'-P energy: -79.845 bonds (distance) P-C4' energy: -126.166 flat angles C4'-P-C4' energy: -78.909 flat angles P-C4'-P energy: -73.859 tors. eta vs tors. theta energy: 19.741 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 4 Temperature: 0.900000 Total energy: -1062.346357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1062.346357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1062.346357 (E_RNA) where: Base-Base interactions energy: -464.358 where: short stacking energy: -401.126 Base-Backbone interact. energy: -1.796 local terms energy: -596.192654 where: bonds (distance) C4'-P energy: -138.747 bonds (distance) P-C4' energy: -151.741 flat angles C4'-P-C4' energy: -126.625 flat angles P-C4'-P energy: -85.603 tors. eta vs tors. theta energy: -93.476 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 4 Temperature: 0.950000 Total energy: -954.702897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -954.702897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -954.702897 (E_RNA) where: Base-Base interactions energy: -392.769 where: short stacking energy: -316.495 Base-Backbone interact. energy: 0.885 local terms energy: -562.818955 where: bonds (distance) C4'-P energy: -125.438 bonds (distance) P-C4' energy: -142.711 flat angles C4'-P-C4' energy: -118.245 flat angles P-C4'-P energy: -101.232 tors. eta vs tors. theta energy: -75.192 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 4 Temperature: 1.000000 Total energy: -954.526766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -954.526766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -954.526766 (E_RNA) where: Base-Base interactions energy: -439.485 where: short stacking energy: -343.214 Base-Backbone interact. energy: 1.571 local terms energy: -516.612084 where: bonds (distance) C4'-P energy: -133.777 bonds (distance) P-C4' energy: -129.038 flat angles C4'-P-C4' energy: -121.934 flat angles P-C4'-P energy: -65.287 tors. eta vs tors. theta energy: -66.576 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 4 Temperature: 1.050000 Total energy: -827.580662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -827.580662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -827.580662 (E_RNA) where: Base-Base interactions energy: -309.217 where: short stacking energy: -289.888 Base-Backbone interact. energy: 3.769 local terms energy: -522.132677 where: bonds (distance) C4'-P energy: -128.877 bonds (distance) P-C4' energy: -133.867 flat angles C4'-P-C4' energy: -127.061 flat angles P-C4'-P energy: -78.933 tors. eta vs tors. theta energy: -53.395 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 4 Temperature: 1.100000 Total energy: -806.896768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -806.896768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -806.896768 (E_RNA) where: Base-Base interactions energy: -355.486 where: short stacking energy: -245.436 Base-Backbone interact. energy: -1.388 local terms energy: -450.022569 where: bonds (distance) C4'-P energy: -113.917 bonds (distance) P-C4' energy: -127.115 flat angles C4'-P-C4' energy: -97.203 flat angles P-C4'-P energy: -77.092 tors. eta vs tors. theta energy: -34.696 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: 6 ===================================== Write number: 4 Temperature: 1.150000 Total energy: -726.727515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -726.727515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -726.727515 (E_RNA) where: Base-Base interactions energy: -270.688 where: short stacking energy: -194.587 Base-Backbone interact. energy: -3.061 local terms energy: -452.978661 where: bonds (distance) C4'-P energy: -116.465 bonds (distance) P-C4' energy: -131.029 flat angles C4'-P-C4' energy: -111.255 flat angles P-C4'-P energy: -72.783 tors. eta vs tors. theta energy: -21.447 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: 7 ===================================== Write number: 4 Temperature: 1.200000 Total energy: -625.672604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -625.672604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -625.672604 (E_RNA) where: Base-Base interactions energy: -220.393 where: short stacking energy: -188.959 Base-Backbone interact. energy: -0.718 local terms energy: -404.561797 where: bonds (distance) C4'-P energy: -97.672 bonds (distance) P-C4' energy: -117.894 flat angles C4'-P-C4' energy: -105.637 flat angles P-C4'-P energy: -58.761 tors. eta vs tors. theta energy: -24.598 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: 9 ===================================== Write number: 4 Temperature: 1.250000 Total energy: -589.761174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -589.761174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -589.761174 (E_RNA) where: Base-Base interactions energy: -225.244 where: short stacking energy: -184.851 Base-Backbone interact. energy: -0.997 local terms energy: -363.519697 where: bonds (distance) C4'-P energy: -105.427 bonds (distance) P-C4' energy: -130.136 flat angles C4'-P-C4' energy: -98.902 flat angles P-C4'-P energy: -39.986 tors. eta vs tors. theta energy: 10.931 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: 9, replica: 8 ===================================== Write number: 4 Temperature: 1.300000 Total energy: -543.421948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -543.421948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -543.421948 (E_RNA) where: Base-Base interactions energy: -196.368 where: short stacking energy: -176.551 Base-Backbone interact. energy: -0.797 local terms energy: -346.257253 where: bonds (distance) C4'-P energy: -114.734 bonds (distance) P-C4' energy: -113.960 flat angles C4'-P-C4' energy: -69.743 flat angles P-C4'-P energy: -39.566 tors. eta vs tors. theta energy: -8.254 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 4 Temperature: 1.350000 Total energy: -486.031645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -486.031645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -486.031645 (E_RNA) where: Base-Base interactions energy: -165.542 where: short stacking energy: -133.950 Base-Backbone interact. energy: -2.788 local terms energy: -317.701466 where: bonds (distance) C4'-P energy: -111.767 bonds (distance) P-C4' energy: -96.421 flat angles C4'-P-C4' energy: -79.723 flat angles P-C4'-P energy: -53.032 tors. eta vs tors. theta energy: 23.242 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 5 Temperature: 0.900000 Total energy: -1082.111189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1082.111189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1082.111189 (E_RNA) where: Base-Base interactions energy: -464.387 where: short stacking energy: -409.920 Base-Backbone interact. energy: -0.157 local terms energy: -617.566991 where: bonds (distance) C4'-P energy: -140.370 bonds (distance) P-C4' energy: -137.769 flat angles C4'-P-C4' energy: -139.234 flat angles P-C4'-P energy: -90.319 tors. eta vs tors. theta energy: -109.874 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: 2 ===================================== Write number: 5 Temperature: 0.950000 Total energy: -997.803372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -997.803372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -997.803372 (E_RNA) where: Base-Base interactions energy: -439.767 where: short stacking energy: -387.642 Base-Backbone interact. energy: -1.883 local terms energy: -556.152846 where: bonds (distance) C4'-P energy: -117.092 bonds (distance) P-C4' energy: -137.389 flat angles C4'-P-C4' energy: -116.914 flat angles P-C4'-P energy: -89.594 tors. eta vs tors. theta energy: -95.164 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 5 Temperature: 1.000000 Total energy: -979.780267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -979.780267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -979.780267 (E_RNA) where: Base-Base interactions energy: -434.877 where: short stacking energy: -327.988 Base-Backbone interact. energy: 0.966 local terms energy: -545.869781 where: bonds (distance) C4'-P energy: -127.029 bonds (distance) P-C4' energy: -136.352 flat angles C4'-P-C4' energy: -113.620 flat angles P-C4'-P energy: -100.257 tors. eta vs tors. theta energy: -68.612 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 5 Temperature: 1.050000 Total energy: -839.100739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -839.100739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -839.100739 (E_RNA) where: Base-Base interactions energy: -355.006 where: short stacking energy: -279.952 Base-Backbone interact. energy: 1.936 local terms energy: -486.030390 where: bonds (distance) C4'-P energy: -128.272 bonds (distance) P-C4' energy: -123.685 flat angles C4'-P-C4' energy: -122.289 flat angles P-C4'-P energy: -74.774 tors. eta vs tors. theta energy: -37.009 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: 5, replica: 5 ===================================== Write number: 5 Temperature: 1.100000 Total energy: -861.042158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -861.042158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -861.042158 (E_RNA) where: Base-Base interactions energy: -397.903 where: short stacking energy: -271.271 Base-Backbone interact. energy: -1.485 local terms energy: -461.653976 where: bonds (distance) C4'-P energy: -114.961 bonds (distance) P-C4' energy: -118.961 flat angles C4'-P-C4' energy: -106.607 flat angles P-C4'-P energy: -74.764 tors. eta vs tors. theta energy: -46.362 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 5 Temperature: 1.150000 Total energy: -746.858841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -746.858841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -746.858841 (E_RNA) where: Base-Base interactions energy: -304.737 where: short stacking energy: -229.792 Base-Backbone interact. energy: 4.070 local terms energy: -446.192440 where: bonds (distance) C4'-P energy: -133.961 bonds (distance) P-C4' energy: -130.998 flat angles C4'-P-C4' energy: -104.554 flat angles P-C4'-P energy: -59.043 tors. eta vs tors. theta energy: -17.637 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 5 Temperature: 1.200000 Total energy: -608.412273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -608.412273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -608.412273 (E_RNA) where: Base-Base interactions energy: -202.463 where: short stacking energy: -151.687 Base-Backbone interact. energy: -2.281 local terms energy: -403.667996 where: bonds (distance) C4'-P energy: -117.171 bonds (distance) P-C4' energy: -139.140 flat angles C4'-P-C4' energy: -87.787 flat angles P-C4'-P energy: -60.728 tors. eta vs tors. theta energy: 1.158 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 5 Temperature: 1.250000 Total energy: -580.869338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -580.869338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -580.869338 (E_RNA) where: Base-Base interactions energy: -174.158 where: short stacking energy: -166.211 Base-Backbone interact. energy: 2.074 local terms energy: -408.785155 where: bonds (distance) C4'-P energy: -126.191 bonds (distance) P-C4' energy: -121.607 flat angles C4'-P-C4' energy: -112.760 flat angles P-C4'-P energy: -57.239 tors. eta vs tors. theta energy: 9.012 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 5 Temperature: 1.300000 Total energy: -548.906853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -548.906853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -548.906853 (E_RNA) where: Base-Base interactions energy: -203.512 where: short stacking energy: -173.082 Base-Backbone interact. energy: 5.399 local terms energy: -350.794061 where: bonds (distance) C4'-P energy: -85.952 bonds (distance) P-C4' energy: -110.534 flat angles C4'-P-C4' energy: -109.292 flat angles P-C4'-P energy: -67.945 tors. eta vs tors. theta energy: 22.929 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: 10 ===================================== Write number: 5 Temperature: 1.350000 Total energy: -487.254345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -487.254345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -487.254345 (E_RNA) where: Base-Base interactions energy: -125.170 where: short stacking energy: -112.915 Base-Backbone interact. energy: 0.047 local terms energy: -362.131401 where: bonds (distance) C4'-P energy: -123.847 bonds (distance) P-C4' energy: -114.561 flat angles C4'-P-C4' energy: -83.953 flat angles P-C4'-P energy: -62.044 tors. eta vs tors. theta energy: 22.274 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 6 Temperature: 0.900000 Total energy: -1131.688041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1131.688041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1131.688041 (E_RNA) where: Base-Base interactions energy: -534.851 where: short stacking energy: -419.271 Base-Backbone interact. energy: 0.593 local terms energy: -597.430715 where: bonds (distance) C4'-P energy: -136.208 bonds (distance) P-C4' energy: -133.968 flat angles C4'-P-C4' energy: -135.994 flat angles P-C4'-P energy: -84.218 tors. eta vs tors. theta energy: -107.042 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 6 Temperature: 0.950000 Total energy: -1072.141499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1072.141499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1072.141499 (E_RNA) where: Base-Base interactions energy: -509.176 where: short stacking energy: -404.034 Base-Backbone interact. energy: 0.242 local terms energy: -563.401088 where: bonds (distance) C4'-P energy: -118.528 bonds (distance) P-C4' energy: -129.116 flat angles C4'-P-C4' energy: -148.632 flat angles P-C4'-P energy: -76.550 tors. eta vs tors. theta energy: -90.575 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.194 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 6 Temperature: 1.000000 Total energy: -950.147123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -950.147123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -950.147123 (E_RNA) where: Base-Base interactions energy: -424.463 where: short stacking energy: -320.052 Base-Backbone interact. energy: -0.902 local terms energy: -524.781951 where: bonds (distance) C4'-P energy: -139.137 bonds (distance) P-C4' energy: -141.678 flat angles C4'-P-C4' energy: -116.259 flat angles P-C4'-P energy: -63.539 tors. eta vs tors. theta energy: -64.169 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 6 Temperature: 1.050000 Total energy: -957.950240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -957.950240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -957.950240 (E_RNA) where: Base-Base interactions energy: -465.413 where: short stacking energy: -296.985 Base-Backbone interact. energy: -0.184 local terms energy: -492.353080 where: bonds (distance) C4'-P energy: -113.165 bonds (distance) P-C4' energy: -129.125 flat angles C4'-P-C4' energy: -109.326 flat angles P-C4'-P energy: -83.909 tors. eta vs tors. theta energy: -56.828 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: 6 Temperature: 1.100000 Total energy: -857.062306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -857.062306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -857.062306 (E_RNA) where: Base-Base interactions energy: -378.862 where: short stacking energy: -251.424 Base-Backbone interact. energy: 0.383 local terms energy: -478.582524 where: bonds (distance) C4'-P energy: -118.246 bonds (distance) P-C4' energy: -124.249 flat angles C4'-P-C4' energy: -121.421 flat angles P-C4'-P energy: -77.619 tors. eta vs tors. theta energy: -37.046 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: 6 ===================================== Write number: 6 Temperature: 1.150000 Total energy: -757.232063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -757.232063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -757.232063 (E_RNA) where: Base-Base interactions energy: -318.317 where: short stacking energy: -227.434 Base-Backbone interact. energy: -0.248 local terms energy: -438.666408 where: bonds (distance) C4'-P energy: -107.033 bonds (distance) P-C4' energy: -120.819 flat angles C4'-P-C4' energy: -123.028 flat angles P-C4'-P energy: -77.982 tors. eta vs tors. theta energy: -9.805 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: 8 ===================================== Write number: 6 Temperature: 1.200000 Total energy: -647.825399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -647.825399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -647.825399 (E_RNA) where: Base-Base interactions energy: -243.931 where: short stacking energy: -208.711 Base-Backbone interact. energy: 4.309 local terms energy: -408.202878 where: bonds (distance) C4'-P energy: -122.130 bonds (distance) P-C4' energy: -128.036 flat angles C4'-P-C4' energy: -85.932 flat angles P-C4'-P energy: -52.115 tors. eta vs tors. theta energy: -19.990 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 6 Temperature: 1.250000 Total energy: -560.869369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -560.869369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -560.869369 (E_RNA) where: Base-Base interactions energy: -172.489 where: short stacking energy: -160.326 Base-Backbone interact. energy: 2.809 local terms energy: -391.188861 where: bonds (distance) C4'-P energy: -111.170 bonds (distance) P-C4' energy: -117.203 flat angles C4'-P-C4' energy: -93.145 flat angles P-C4'-P energy: -64.652 tors. eta vs tors. theta energy: -5.018 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 6 Temperature: 1.300000 Total energy: -565.417461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -565.417461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -565.417461 (E_RNA) where: Base-Base interactions energy: -210.235 where: short stacking energy: -163.625 Base-Backbone interact. energy: 6.146 local terms energy: -361.328519 where: bonds (distance) C4'-P energy: -102.178 bonds (distance) P-C4' energy: -109.160 flat angles C4'-P-C4' energy: -97.627 flat angles P-C4'-P energy: -57.529 tors. eta vs tors. theta energy: 5.165 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 6 Temperature: 1.350000 Total energy: -485.174562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -485.174562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -485.174562 (E_RNA) where: Base-Base interactions energy: -115.441 where: short stacking energy: -97.494 Base-Backbone interact. energy: 1.155 local terms energy: -370.888408 where: bonds (distance) C4'-P energy: -117.192 bonds (distance) P-C4' energy: -134.117 flat angles C4'-P-C4' energy: -84.192 flat angles P-C4'-P energy: -69.721 tors. eta vs tors. theta energy: 34.334 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 7 Temperature: 0.900000 Total energy: -1211.385390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1211.385390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1211.385390 (E_RNA) where: Base-Base interactions energy: -581.717 where: short stacking energy: -432.409 Base-Backbone interact. energy: -0.891 local terms energy: -628.777271 where: bonds (distance) C4'-P energy: -142.096 bonds (distance) P-C4' energy: -124.922 flat angles C4'-P-C4' energy: -149.795 flat angles P-C4'-P energy: -92.218 tors. eta vs tors. theta energy: -119.746 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 7 Temperature: 0.950000 Total energy: -1101.853142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1101.853142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1101.853142 (E_RNA) where: Base-Base interactions energy: -556.393 where: short stacking energy: -363.253 Base-Backbone interact. energy: -3.319 local terms energy: -542.140644 where: bonds (distance) C4'-P energy: -134.611 bonds (distance) P-C4' energy: -131.650 flat angles C4'-P-C4' energy: -131.409 flat angles P-C4'-P energy: -78.803 tors. eta vs tors. theta energy: -65.667 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 7 Temperature: 1.000000 Total energy: -985.495755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -985.495755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -985.495755 (E_RNA) where: Base-Base interactions energy: -446.193 where: short stacking energy: -373.509 Base-Backbone interact. energy: -1.442 local terms energy: -537.861151 where: bonds (distance) C4'-P energy: -100.537 bonds (distance) P-C4' energy: -136.332 flat angles C4'-P-C4' energy: -120.738 flat angles P-C4'-P energy: -80.552 tors. eta vs tors. theta energy: -99.703 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: 4 ===================================== Write number: 7 Temperature: 1.050000 Total energy: -1037.179457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1037.179457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1037.179457 (E_RNA) where: Base-Base interactions energy: -513.567 where: short stacking energy: -316.237 Base-Backbone interact. energy: 0.481 local terms energy: -524.093740 where: bonds (distance) C4'-P energy: -129.891 bonds (distance) P-C4' energy: -130.638 flat angles C4'-P-C4' energy: -106.386 flat angles P-C4'-P energy: -81.238 tors. eta vs tors. theta energy: -75.941 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: 5, replica: 5 ===================================== Write number: 7 Temperature: 1.100000 Total energy: -798.767341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -798.767341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -798.767341 (E_RNA) where: Base-Base interactions energy: -333.063 where: short stacking energy: -268.516 Base-Backbone interact. energy: 3.809 local terms energy: -469.512777 where: bonds (distance) C4'-P energy: -120.778 bonds (distance) P-C4' energy: -120.649 flat angles C4'-P-C4' energy: -125.845 flat angles P-C4'-P energy: -54.491 tors. eta vs tors. theta energy: -47.751 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: 6 ===================================== Write number: 7 Temperature: 1.150000 Total energy: -828.714670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -828.714670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -828.714670 (E_RNA) where: Base-Base interactions energy: -367.661 where: short stacking energy: -216.532 Base-Backbone interact. energy: -4.797 local terms energy: -456.256360 where: bonds (distance) C4'-P energy: -130.722 bonds (distance) P-C4' energy: -124.000 flat angles C4'-P-C4' energy: -114.745 flat angles P-C4'-P energy: -57.151 tors. eta vs tors. theta energy: -29.639 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 7 Temperature: 1.200000 Total energy: -766.099015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -766.099015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -766.099015 (E_RNA) where: Base-Base interactions energy: -357.790 where: short stacking energy: -217.041 Base-Backbone interact. energy: 5.085 local terms energy: -413.394337 where: bonds (distance) C4'-P energy: -103.886 bonds (distance) P-C4' energy: -115.602 flat angles C4'-P-C4' energy: -109.380 flat angles P-C4'-P energy: -73.805 tors. eta vs tors. theta energy: -10.722 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 7 Temperature: 1.250000 Total energy: -557.079135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -557.079135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -557.079135 (E_RNA) where: Base-Base interactions energy: -200.787 where: short stacking energy: -170.533 Base-Backbone interact. energy: 7.407 local terms energy: -363.699774 where: bonds (distance) C4'-P energy: -110.868 bonds (distance) P-C4' energy: -120.020 flat angles C4'-P-C4' energy: -86.734 flat angles P-C4'-P energy: -59.590 tors. eta vs tors. theta energy: 13.513 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 7 Temperature: 1.300000 Total energy: -588.339638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -588.339638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -588.339638 (E_RNA) where: Base-Base interactions energy: -220.761 where: short stacking energy: -168.581 Base-Backbone interact. energy: -0.050 local terms energy: -367.528804 where: bonds (distance) C4'-P energy: -118.775 bonds (distance) P-C4' energy: -108.859 flat angles C4'-P-C4' energy: -100.589 flat angles P-C4'-P energy: -45.965 tors. eta vs tors. theta energy: 6.659 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 7 Temperature: 1.350000 Total energy: -499.050390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -499.050390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -499.050390 (E_RNA) where: Base-Base interactions energy: -173.166 where: short stacking energy: -148.202 Base-Backbone interact. energy: -4.102 local terms energy: -321.781912 where: bonds (distance) C4'-P energy: -90.246 bonds (distance) P-C4' energy: -116.467 flat angles C4'-P-C4' energy: -90.515 flat angles P-C4'-P energy: -47.629 tors. eta vs tors. theta energy: 23.075 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: 1 ===================================== Write number: 8 Temperature: 0.900000 Total energy: -1258.801684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1258.801684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1258.801684 (E_RNA) where: Base-Base interactions energy: -653.468 where: short stacking energy: -430.255 Base-Backbone interact. energy: 0.064 local terms energy: -605.398143 where: bonds (distance) C4'-P energy: -128.820 bonds (distance) P-C4' energy: -146.583 flat angles C4'-P-C4' energy: -117.847 flat angles P-C4'-P energy: -93.023 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: 2, replica: 2 ===================================== Write number: 8 Temperature: 0.950000 Total energy: -1158.123349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1158.123349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1158.123349 (E_RNA) where: Base-Base interactions energy: -592.031 where: short stacking energy: -381.288 Base-Backbone interact. energy: 1.567 local terms energy: -567.659474 where: bonds (distance) C4'-P energy: -135.350 bonds (distance) P-C4' energy: -137.108 flat angles C4'-P-C4' energy: -134.772 flat angles P-C4'-P energy: -80.752 tors. eta vs tors. theta energy: -79.677 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 8 Temperature: 1.000000 Total energy: -1202.214017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1202.214017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1202.214017 (E_RNA) where: Base-Base interactions energy: -644.674 where: short stacking energy: -401.863 Base-Backbone interact. energy: 3.238 local terms energy: -560.777854 where: bonds (distance) C4'-P energy: -124.890 bonds (distance) P-C4' energy: -129.716 flat angles C4'-P-C4' energy: -134.217 flat angles P-C4'-P energy: -84.235 tors. eta vs tors. theta energy: -87.720 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 8 Temperature: 1.050000 Total energy: -908.455817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -908.455817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -908.455817 (E_RNA) where: Base-Base interactions energy: -412.473 where: short stacking energy: -308.734 Base-Backbone interact. energy: 1.567 local terms energy: -497.827121 where: bonds (distance) C4'-P energy: -107.662 bonds (distance) P-C4' energy: -123.972 flat angles C4'-P-C4' energy: -120.943 flat angles P-C4'-P energy: -84.822 tors. eta vs tors. theta energy: -60.428 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.277 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 8 Temperature: 1.100000 Total energy: -909.616850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -909.616850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -909.616850 (E_RNA) where: Base-Base interactions energy: -443.625 where: short stacking energy: -279.190 Base-Backbone interact. energy: 0.138 local terms energy: -466.130419 where: bonds (distance) C4'-P energy: -110.390 bonds (distance) P-C4' energy: -130.258 flat angles C4'-P-C4' energy: -105.985 flat angles P-C4'-P energy: -79.573 tors. eta vs tors. theta energy: -39.924 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: 6 ===================================== Write number: 8 Temperature: 1.150000 Total energy: -811.323385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -811.323385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -811.323385 (E_RNA) where: Base-Base interactions energy: -354.057 where: short stacking energy: -234.722 Base-Backbone interact. energy: -1.714 local terms energy: -455.552561 where: bonds (distance) C4'-P energy: -115.111 bonds (distance) P-C4' energy: -127.848 flat angles C4'-P-C4' energy: -114.826 flat angles P-C4'-P energy: -69.808 tors. eta vs tors. theta energy: -27.959 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 8 Temperature: 1.200000 Total energy: -808.447174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -808.447174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -808.447174 (E_RNA) where: Base-Base interactions energy: -379.361 where: short stacking energy: -216.318 Base-Backbone interact. energy: -4.148 local terms energy: -424.937835 where: bonds (distance) C4'-P energy: -116.021 bonds (distance) P-C4' energy: -111.249 flat angles C4'-P-C4' energy: -101.454 flat angles P-C4'-P energy: -72.351 tors. eta vs tors. theta energy: -23.863 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 8 Temperature: 1.250000 Total energy: -606.773277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -606.773277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -606.773277 (E_RNA) where: Base-Base interactions energy: -238.235 where: short stacking energy: -172.763 Base-Backbone interact. energy: -2.531 local terms energy: -366.007995 where: bonds (distance) C4'-P energy: -106.494 bonds (distance) P-C4' energy: -115.742 flat angles C4'-P-C4' energy: -89.098 flat angles P-C4'-P energy: -55.529 tors. eta vs tors. theta energy: 0.855 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 8 Temperature: 1.300000 Total energy: -570.428403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -570.428403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -570.428403 (E_RNA) where: Base-Base interactions energy: -208.050 where: short stacking energy: -147.207 Base-Backbone interact. energy: -2.086 local terms energy: -360.292681 where: bonds (distance) C4'-P energy: -97.752 bonds (distance) P-C4' energy: -122.839 flat angles C4'-P-C4' energy: -87.880 flat angles P-C4'-P energy: -65.639 tors. eta vs tors. theta energy: 13.817 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 8 Temperature: 1.350000 Total energy: -485.471489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -485.471489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -485.471489 (E_RNA) where: Base-Base interactions energy: -153.208 where: short stacking energy: -135.753 Base-Backbone interact. energy: 6.510 local terms energy: -338.773461 where: bonds (distance) C4'-P energy: -108.230 bonds (distance) P-C4' energy: -110.317 flat angles C4'-P-C4' energy: -91.111 flat angles P-C4'-P energy: -57.636 tors. eta vs tors. theta energy: 28.521 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: 1 ===================================== Write number: 9 Temperature: 0.900000 Total energy: -1291.133234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1291.133234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1291.133234 (E_RNA) where: Base-Base interactions energy: -679.216 where: short stacking energy: -461.798 Base-Backbone interact. energy: -0.208 local terms energy: -611.709264 where: bonds (distance) C4'-P energy: -129.537 bonds (distance) P-C4' energy: -134.748 flat angles C4'-P-C4' energy: -140.650 flat angles P-C4'-P energy: -88.851 tors. eta vs tors. theta energy: -117.923 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: 4 ===================================== Write number: 9 Temperature: 0.950000 Total energy: -1267.165893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1267.165893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1267.165893 (E_RNA) where: Base-Base interactions energy: -654.388 where: short stacking energy: -410.776 Base-Backbone interact. energy: 2.780 local terms energy: -615.557975 where: bonds (distance) C4'-P energy: -138.775 bonds (distance) P-C4' energy: -142.765 flat angles C4'-P-C4' energy: -129.052 flat angles P-C4'-P energy: -105.039 tors. eta vs tors. theta energy: -99.927 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 9 Temperature: 1.000000 Total energy: -1131.437752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1131.437752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1131.437752 (E_RNA) where: Base-Base interactions energy: -584.681 where: short stacking energy: -356.944 Base-Backbone interact. energy: -0.077 local terms energy: -546.679688 where: bonds (distance) C4'-P energy: -134.682 bonds (distance) P-C4' energy: -125.607 flat angles C4'-P-C4' energy: -119.795 flat angles P-C4'-P energy: -78.507 tors. eta vs tors. theta energy: -88.089 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 9 Temperature: 1.050000 Total energy: -1037.710895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1037.710895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1037.710895 (E_RNA) where: Base-Base interactions energy: -536.714 where: short stacking energy: -349.734 Base-Backbone interact. energy: -3.831 local terms energy: -497.166095 where: bonds (distance) C4'-P energy: -122.822 bonds (distance) P-C4' energy: -129.662 flat angles C4'-P-C4' energy: -121.698 flat angles P-C4'-P energy: -67.989 tors. eta vs tors. theta energy: -54.994 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 9 Temperature: 1.100000 Total energy: -865.147459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -865.147459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -865.147459 (E_RNA) where: Base-Base interactions energy: -414.993 where: short stacking energy: -253.833 Base-Backbone interact. energy: -3.243 local terms energy: -446.911826 where: bonds (distance) C4'-P energy: -121.072 bonds (distance) P-C4' energy: -111.369 flat angles C4'-P-C4' energy: -111.337 flat angles P-C4'-P energy: -56.241 tors. eta vs tors. theta energy: -46.892 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: 6 ===================================== Write number: 9 Temperature: 1.150000 Total energy: -827.568083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -827.568083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -827.568083 (E_RNA) where: Base-Base interactions energy: -371.753 where: short stacking energy: -213.258 Base-Backbone interact. energy: -0.640 local terms energy: -455.175652 where: bonds (distance) C4'-P energy: -122.605 bonds (distance) P-C4' energy: -118.339 flat angles C4'-P-C4' energy: -120.608 flat angles P-C4'-P energy: -59.848 tors. eta vs tors. theta energy: -33.776 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: 8 ===================================== Write number: 9 Temperature: 1.200000 Total energy: -879.795444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -879.795444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -879.795444 (E_RNA) where: Base-Base interactions energy: -417.630 where: short stacking energy: -261.443 Base-Backbone interact. energy: 4.239 local terms energy: -466.405062 where: bonds (distance) C4'-P energy: -117.402 bonds (distance) P-C4' energy: -115.669 flat angles C4'-P-C4' energy: -100.537 flat angles P-C4'-P energy: -75.950 tors. eta vs tors. theta energy: -56.846 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 9 Temperature: 1.250000 Total energy: -570.984199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -570.984199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -570.984199 (E_RNA) where: Base-Base interactions energy: -224.204 where: short stacking energy: -146.952 Base-Backbone interact. energy: 0.637 local terms energy: -347.417670 where: bonds (distance) C4'-P energy: -86.823 bonds (distance) P-C4' energy: -129.403 flat angles C4'-P-C4' energy: -108.684 flat angles P-C4'-P energy: -57.549 tors. eta vs tors. theta energy: 35.041 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 9 Temperature: 1.300000 Total energy: -535.353818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -535.353818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -535.353818 (E_RNA) where: Base-Base interactions energy: -191.717 where: short stacking energy: -151.276 Base-Backbone interact. energy: -1.083 local terms energy: -342.553679 where: bonds (distance) C4'-P energy: -98.180 bonds (distance) P-C4' energy: -119.110 flat angles C4'-P-C4' energy: -87.165 flat angles P-C4'-P energy: -66.115 tors. eta vs tors. theta energy: 28.018 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 9 Temperature: 1.350000 Total energy: -514.001518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -514.001518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -514.001518 (E_RNA) where: Base-Base interactions energy: -161.480 where: short stacking energy: -137.518 Base-Backbone interact. energy: -0.243 local terms energy: -352.278147 where: bonds (distance) C4'-P energy: -107.357 bonds (distance) P-C4' energy: -115.941 flat angles C4'-P-C4' energy: -98.013 flat angles P-C4'-P energy: -50.008 tors. eta vs tors. theta energy: 19.040 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 10 Temperature: 0.900000 Total energy: -1268.923757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1268.923757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1268.923757 (E_RNA) where: Base-Base interactions energy: -657.910 where: short stacking energy: -378.391 Base-Backbone interact. energy: -0.592 local terms energy: -610.421464 where: bonds (distance) C4'-P energy: -125.303 bonds (distance) P-C4' energy: -152.979 flat angles C4'-P-C4' energy: -145.990 flat angles P-C4'-P energy: -83.276 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: 2, replica: 4 ===================================== Write number: 10 Temperature: 0.950000 Total energy: -1332.427134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1332.427134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1332.427134 (E_RNA) where: Base-Base interactions energy: -760.849 where: short stacking energy: -448.492 Base-Backbone interact. energy: -0.626 local terms energy: -570.951253 where: bonds (distance) C4'-P energy: -121.831 bonds (distance) P-C4' energy: -134.844 flat angles C4'-P-C4' energy: -121.118 flat angles P-C4'-P energy: -82.712 tors. eta vs tors. theta energy: -110.446 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 10 Temperature: 1.000000 Total energy: -1212.157715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1212.157715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1212.157715 (E_RNA) where: Base-Base interactions energy: -667.800 where: short stacking energy: -387.430 Base-Backbone interact. energy: 0.289 local terms energy: -544.646573 where: bonds (distance) C4'-P energy: -126.418 bonds (distance) P-C4' energy: -112.816 flat angles C4'-P-C4' energy: -122.565 flat angles P-C4'-P energy: -86.147 tors. eta vs tors. theta energy: -96.701 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 10 Temperature: 1.050000 Total energy: -988.134077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -988.134077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -988.134077 (E_RNA) where: Base-Base interactions energy: -501.317 where: short stacking energy: -330.347 Base-Backbone interact. energy: -0.806 local terms energy: -486.010547 where: bonds (distance) C4'-P energy: -128.921 bonds (distance) P-C4' energy: -117.528 flat angles C4'-P-C4' energy: -121.821 flat angles P-C4'-P energy: -59.016 tors. eta vs tors. theta energy: -58.725 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 10 Temperature: 1.100000 Total energy: -871.486080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -871.486080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -871.486080 (E_RNA) where: Base-Base interactions energy: -417.204 where: short stacking energy: -274.359 Base-Backbone interact. energy: -0.702 local terms energy: -453.580217 where: bonds (distance) C4'-P energy: -106.452 bonds (distance) P-C4' energy: -110.958 flat angles C4'-P-C4' energy: -119.226 flat angles P-C4'-P energy: -71.417 tors. eta vs tors. theta energy: -45.526 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 10 Temperature: 1.150000 Total energy: -890.986241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -890.986241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -890.986241 (E_RNA) where: Base-Base interactions energy: -424.177 where: short stacking energy: -261.592 Base-Backbone interact. energy: -0.506 local terms energy: -466.303574 where: bonds (distance) C4'-P energy: -116.623 bonds (distance) P-C4' energy: -130.162 flat angles C4'-P-C4' energy: -111.480 flat angles P-C4'-P energy: -65.586 tors. eta vs tors. theta energy: -42.452 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 10 Temperature: 1.200000 Total energy: -901.350698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -901.350698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -901.350698 (E_RNA) where: Base-Base interactions energy: -444.722 where: short stacking energy: -236.144 Base-Backbone interact. energy: -1.558 local terms energy: -455.070122 where: bonds (distance) C4'-P energy: -118.568 bonds (distance) P-C4' energy: -125.221 flat angles C4'-P-C4' energy: -102.528 flat angles P-C4'-P energy: -73.780 tors. eta vs tors. theta energy: -34.974 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 10 Temperature: 1.250000 Total energy: -622.725745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -622.725745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -622.725745 (E_RNA) where: Base-Base interactions energy: -260.066 where: short stacking energy: -156.988 Base-Backbone interact. energy: 2.479 local terms energy: -365.138512 where: bonds (distance) C4'-P energy: -118.111 bonds (distance) P-C4' energy: -123.865 flat angles C4'-P-C4' energy: -95.774 flat angles P-C4'-P energy: -31.329 tors. eta vs tors. theta energy: 3.940 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: 9 ===================================== Write number: 10 Temperature: 1.300000 Total energy: -520.027752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -520.027752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -520.027752 (E_RNA) where: Base-Base interactions energy: -199.570 where: short stacking energy: -161.959 Base-Backbone interact. energy: 2.009 local terms energy: -322.466146 where: bonds (distance) C4'-P energy: -104.289 bonds (distance) P-C4' energy: -115.523 flat angles C4'-P-C4' energy: -74.148 flat angles P-C4'-P energy: -46.027 tors. eta vs tors. theta energy: 17.521 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 10 Temperature: 1.350000 Total energy: -517.164147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -517.164147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -517.164147 (E_RNA) where: Base-Base interactions energy: -158.311 where: short stacking energy: -115.743 Base-Backbone interact. energy: 7.330 local terms energy: -366.183627 where: bonds (distance) C4'-P energy: -119.109 bonds (distance) P-C4' energy: -112.575 flat angles C4'-P-C4' energy: -114.628 flat angles P-C4'-P energy: -45.642 tors. eta vs tors. theta energy: 25.771 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 11 Temperature: 0.900000 Total energy: -1314.286207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1314.286207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1314.286207 (E_RNA) where: Base-Base interactions energy: -726.310 where: short stacking energy: -419.372 Base-Backbone interact. energy: -1.533 local terms energy: -586.443243 where: bonds (distance) C4'-P energy: -118.133 bonds (distance) P-C4' energy: -138.789 flat angles C4'-P-C4' energy: -139.389 flat angles P-C4'-P energy: -85.575 tors. eta vs tors. theta energy: -104.558 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 11 Temperature: 0.950000 Total energy: -1333.167008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1333.167008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1333.167008 (E_RNA) where: Base-Base interactions energy: -742.186 where: short stacking energy: -425.975 Base-Backbone interact. energy: -0.770 local terms energy: -590.211463 where: bonds (distance) C4'-P energy: -129.520 bonds (distance) P-C4' energy: -146.764 flat angles C4'-P-C4' energy: -124.700 flat angles P-C4'-P energy: -89.110 tors. eta vs tors. theta energy: -100.118 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 11 Temperature: 1.000000 Total energy: -1262.234165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1262.234165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1262.234165 (E_RNA) where: Base-Base interactions energy: -705.719 where: short stacking energy: -362.854 Base-Backbone interact. energy: 1.322 local terms energy: -558.028286 where: bonds (distance) C4'-P energy: -121.305 bonds (distance) P-C4' energy: -136.565 flat angles C4'-P-C4' energy: -131.058 flat angles P-C4'-P energy: -77.652 tors. eta vs tors. theta energy: -91.448 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.191 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 11 Temperature: 1.050000 Total energy: -999.887280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -999.887280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -999.887280 (E_RNA) where: Base-Base interactions energy: -477.805 where: short stacking energy: -276.088 Base-Backbone interact. energy: -3.226 local terms energy: -518.857137 where: bonds (distance) C4'-P energy: -129.925 bonds (distance) P-C4' energy: -119.290 flat angles C4'-P-C4' energy: -129.856 flat angles P-C4'-P energy: -82.370 tors. eta vs tors. theta energy: -57.417 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 11 Temperature: 1.100000 Total energy: -828.651992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -828.651992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -828.651992 (E_RNA) where: Base-Base interactions energy: -364.342 where: short stacking energy: -252.496 Base-Backbone interact. energy: -0.681 local terms energy: -463.628852 where: bonds (distance) C4'-P energy: -128.207 bonds (distance) P-C4' energy: -117.089 flat angles C4'-P-C4' energy: -129.452 flat angles P-C4'-P energy: -63.895 tors. eta vs tors. theta energy: -24.986 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 11 Temperature: 1.150000 Total energy: -880.387643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -880.387643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -880.387643 (E_RNA) where: Base-Base interactions energy: -442.377 where: short stacking energy: -250.828 Base-Backbone interact. energy: -3.496 local terms energy: -434.514486 where: bonds (distance) C4'-P energy: -110.228 bonds (distance) P-C4' energy: -106.157 flat angles C4'-P-C4' energy: -119.290 flat angles P-C4'-P energy: -70.484 tors. eta vs tors. theta energy: -28.356 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 11 Temperature: 1.200000 Total energy: -831.690774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -831.690774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -831.690774 (E_RNA) where: Base-Base interactions energy: -403.112 where: short stacking energy: -230.067 Base-Backbone interact. energy: 0.831 local terms energy: -429.408972 where: bonds (distance) C4'-P energy: -115.391 bonds (distance) P-C4' energy: -128.633 flat angles C4'-P-C4' energy: -112.394 flat angles P-C4'-P energy: -53.362 tors. eta vs tors. theta energy: -19.629 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: 10 ===================================== Write number: 11 Temperature: 1.250000 Total energy: -638.753488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -638.753488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -638.753488 (E_RNA) where: Base-Base interactions energy: -253.179 where: short stacking energy: -139.731 Base-Backbone interact. energy: -3.426 local terms energy: -382.148460 where: bonds (distance) C4'-P energy: -104.559 bonds (distance) P-C4' energy: -127.247 flat angles C4'-P-C4' energy: -94.754 flat angles P-C4'-P energy: -69.648 tors. eta vs tors. theta energy: 14.060 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 11 Temperature: 1.300000 Total energy: -583.886787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -583.886787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -583.886787 (E_RNA) where: Base-Base interactions energy: -220.789 where: short stacking energy: -171.392 Base-Backbone interact. energy: -0.034 local terms energy: -363.063056 where: bonds (distance) C4'-P energy: -102.014 bonds (distance) P-C4' energy: -114.714 flat angles C4'-P-C4' energy: -93.700 flat angles P-C4'-P energy: -55.598 tors. eta vs tors. theta energy: 2.962 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 11 Temperature: 1.350000 Total energy: -485.781971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -485.781971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -485.781971 (E_RNA) where: Base-Base interactions energy: -163.237 where: short stacking energy: -124.379 Base-Backbone interact. energy: 0.131 local terms energy: -322.675536 where: bonds (distance) C4'-P energy: -100.128 bonds (distance) P-C4' energy: -113.856 flat angles C4'-P-C4' energy: -89.920 flat angles P-C4'-P energy: -58.449 tors. eta vs tors. theta energy: 39.678 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 12 Temperature: 0.900000 Total energy: -1459.821957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1459.821957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1459.821957 (E_RNA) where: Base-Base interactions energy: -833.961 where: short stacking energy: -495.093 Base-Backbone interact. energy: 0.236 local terms energy: -626.096952 where: bonds (distance) C4'-P energy: -130.798 bonds (distance) P-C4' energy: -134.652 flat angles C4'-P-C4' energy: -134.574 flat angles P-C4'-P energy: -89.339 tors. eta vs tors. theta energy: -136.733 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: 1 ===================================== Write number: 12 Temperature: 0.950000 Total energy: -1382.526232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1382.526232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1382.526232 (E_RNA) where: Base-Base interactions energy: -782.397 where: short stacking energy: -462.383 Base-Backbone interact. energy: 1.539 local terms energy: -601.667865 where: bonds (distance) C4'-P energy: -127.547 bonds (distance) P-C4' energy: -139.175 flat angles C4'-P-C4' energy: -140.890 flat angles P-C4'-P energy: -82.654 tors. eta vs tors. theta energy: -111.402 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: 3, replica: 2 ===================================== Write number: 12 Temperature: 1.000000 Total energy: -1259.695608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1259.695608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1259.695608 (E_RNA) where: Base-Base interactions energy: -696.663 where: short stacking energy: -403.391 Base-Backbone interact. energy: -2.384 local terms energy: -560.648734 where: bonds (distance) C4'-P energy: -116.481 bonds (distance) P-C4' energy: -144.135 flat angles C4'-P-C4' energy: -141.678 flat angles P-C4'-P energy: -71.889 tors. eta vs tors. theta energy: -86.466 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 12 Temperature: 1.050000 Total energy: -1049.443169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1049.443169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1049.443169 (E_RNA) where: Base-Base interactions energy: -554.457 where: short stacking energy: -330.044 Base-Backbone interact. energy: -0.204 local terms energy: -494.781861 where: bonds (distance) C4'-P energy: -125.632 bonds (distance) P-C4' energy: -116.546 flat angles C4'-P-C4' energy: -121.716 flat angles P-C4'-P energy: -76.160 tors. eta vs tors. theta energy: -54.727 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 12 Temperature: 1.100000 Total energy: -1021.050764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1021.050764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1021.050764 (E_RNA) where: Base-Base interactions energy: -502.547 where: short stacking energy: -266.795 Base-Backbone interact. energy: -3.833 local terms energy: -514.671439 where: bonds (distance) C4'-P energy: -131.074 bonds (distance) P-C4' energy: -123.824 flat angles C4'-P-C4' energy: -128.329 flat angles P-C4'-P energy: -78.563 tors. eta vs tors. theta energy: -52.882 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: 3 ===================================== Write number: 12 Temperature: 1.150000 Total energy: -731.182877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -731.182877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -731.182877 (E_RNA) where: Base-Base interactions energy: -298.680 where: short stacking energy: -218.820 Base-Backbone interact. energy: 1.300 local terms energy: -433.899159 where: bonds (distance) C4'-P energy: -98.675 bonds (distance) P-C4' energy: -122.738 flat angles C4'-P-C4' energy: -125.490 flat angles P-C4'-P energy: -69.510 tors. eta vs tors. theta energy: -17.487 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.096 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 12 Temperature: 1.200000 Total energy: -827.377845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -827.377845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -827.377845 (E_RNA) where: Base-Base interactions energy: -392.731 where: short stacking energy: -225.444 Base-Backbone interact. energy: -2.643 local terms energy: -432.003136 where: bonds (distance) C4'-P energy: -96.627 bonds (distance) P-C4' energy: -127.083 flat angles C4'-P-C4' energy: -113.793 flat angles P-C4'-P energy: -68.950 tors. eta vs tors. theta energy: -25.550 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: 10 ===================================== Write number: 12 Temperature: 1.250000 Total energy: -719.493058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -719.493058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -719.493058 (E_RNA) where: Base-Base interactions energy: -343.746 where: short stacking energy: -202.910 Base-Backbone interact. energy: -1.886 local terms energy: -373.860830 where: bonds (distance) C4'-P energy: -108.023 bonds (distance) P-C4' energy: -128.436 flat angles C4'-P-C4' energy: -97.591 flat angles P-C4'-P energy: -50.004 tors. eta vs tors. theta energy: 10.192 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 12 Temperature: 1.300000 Total energy: -519.433633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -519.433633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -519.433633 (E_RNA) where: Base-Base interactions energy: -190.815 where: short stacking energy: -140.130 Base-Backbone interact. energy: 2.169 local terms energy: -330.787292 where: bonds (distance) C4'-P energy: -91.723 bonds (distance) P-C4' energy: -118.099 flat angles C4'-P-C4' energy: -102.791 flat angles P-C4'-P energy: -40.592 tors. eta vs tors. theta energy: 22.418 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: 10, replica: 7 ===================================== Write number: 12 Temperature: 1.350000 Total energy: -494.847070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -494.847070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -494.847070 (E_RNA) where: Base-Base interactions energy: -179.458 where: short stacking energy: -121.738 Base-Backbone interact. energy: 9.990 local terms energy: -325.379116 where: bonds (distance) C4'-P energy: -108.054 bonds (distance) P-C4' energy: -111.999 flat angles C4'-P-C4' energy: -96.134 flat angles P-C4'-P energy: -39.631 tors. eta vs tors. theta energy: 30.440 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 13 Temperature: 0.900000 Total energy: -1462.941261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1462.941261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1462.941261 (E_RNA) where: Base-Base interactions energy: -862.372 where: short stacking energy: -485.135 Base-Backbone interact. energy: 0.183 local terms energy: -600.752447 where: bonds (distance) C4'-P energy: -141.530 bonds (distance) P-C4' energy: -125.690 flat angles C4'-P-C4' energy: -120.228 flat angles P-C4'-P energy: -86.763 tors. eta vs tors. theta energy: -126.542 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 13 Temperature: 0.950000 Total energy: -1380.624765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1380.624765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1380.624765 (E_RNA) where: Base-Base interactions energy: -801.543 where: short stacking energy: -450.681 Base-Backbone interact. energy: -1.111 local terms energy: -577.970790 where: bonds (distance) C4'-P energy: -121.384 bonds (distance) P-C4' energy: -125.466 flat angles C4'-P-C4' energy: -124.915 flat angles P-C4'-P energy: -93.168 tors. eta vs tors. theta energy: -113.037 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 13 Temperature: 1.000000 Total energy: -1249.302411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1249.302411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1249.302411 (E_RNA) where: Base-Base interactions energy: -700.972 where: short stacking energy: -341.515 Base-Backbone interact. energy: -2.669 local terms energy: -545.662174 where: bonds (distance) C4'-P energy: -123.756 bonds (distance) P-C4' energy: -138.280 flat angles C4'-P-C4' energy: -118.406 flat angles P-C4'-P energy: -87.366 tors. eta vs tors. theta energy: -77.855 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: 4, replica: 5 ===================================== Write number: 13 Temperature: 1.050000 Total energy: -1016.565779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1016.565779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1016.565779 (E_RNA) where: Base-Base interactions energy: -509.852 where: short stacking energy: -307.852 Base-Backbone interact. energy: -3.074 local terms energy: -503.640291 where: bonds (distance) C4'-P energy: -128.688 bonds (distance) P-C4' energy: -129.154 flat angles C4'-P-C4' energy: -119.114 flat angles P-C4'-P energy: -73.038 tors. eta vs tors. theta energy: -53.645 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: 5, replica: 6 ===================================== Write number: 13 Temperature: 1.100000 Total energy: -1074.470390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1074.470390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1074.470390 (E_RNA) where: Base-Base interactions energy: -548.025 where: short stacking energy: -284.395 Base-Backbone interact. energy: 1.298 local terms energy: -527.743480 where: bonds (distance) C4'-P energy: -122.451 bonds (distance) P-C4' energy: -137.139 flat angles C4'-P-C4' energy: -131.485 flat angles P-C4'-P energy: -69.514 tors. eta vs tors. theta energy: -67.154 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 13 Temperature: 1.150000 Total energy: -875.898145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -875.898145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -875.898145 (E_RNA) where: Base-Base interactions energy: -435.678 where: short stacking energy: -255.539 Base-Backbone interact. energy: 0.468 local terms energy: -440.688318 where: bonds (distance) C4'-P energy: -115.555 bonds (distance) P-C4' energy: -134.667 flat angles C4'-P-C4' energy: -108.852 flat angles P-C4'-P energy: -68.441 tors. eta vs tors. theta energy: -13.173 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: 3 ===================================== Write number: 13 Temperature: 1.200000 Total energy: -623.934381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -623.934381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -623.934381 (E_RNA) where: Base-Base interactions energy: -216.265 where: short stacking energy: -180.972 Base-Backbone interact. energy: 5.918 local terms energy: -413.587555 where: bonds (distance) C4'-P energy: -117.921 bonds (distance) P-C4' energy: -129.001 flat angles C4'-P-C4' energy: -107.760 flat angles P-C4'-P energy: -74.439 tors. eta vs tors. theta energy: 15.534 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 13 Temperature: 1.250000 Total energy: -716.215782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -716.215782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -716.215782 (E_RNA) where: Base-Base interactions energy: -344.100 where: short stacking energy: -208.712 Base-Backbone interact. energy: 1.815 local terms energy: -373.931114 where: bonds (distance) C4'-P energy: -102.855 bonds (distance) P-C4' energy: -113.861 flat angles C4'-P-C4' energy: -100.238 flat angles P-C4'-P energy: -60.967 tors. eta vs tors. theta energy: 3.991 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 13 Temperature: 1.300000 Total energy: -564.051094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -564.051094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -564.051094 (E_RNA) where: Base-Base interactions energy: -213.388 where: short stacking energy: -145.771 Base-Backbone interact. energy: -2.071 local terms energy: -348.592518 where: bonds (distance) C4'-P energy: -112.565 bonds (distance) P-C4' energy: -111.390 flat angles C4'-P-C4' energy: -88.222 flat angles P-C4'-P energy: -57.165 tors. eta vs tors. theta energy: 20.751 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 13 Temperature: 1.350000 Total energy: -502.816712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -502.816712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -502.816712 (E_RNA) where: Base-Base interactions energy: -164.387 where: short stacking energy: -119.989 Base-Backbone interact. energy: -2.684 local terms energy: -335.746002 where: bonds (distance) C4'-P energy: -110.636 bonds (distance) P-C4' energy: -119.041 flat angles C4'-P-C4' energy: -80.566 flat angles P-C4'-P energy: -60.022 tors. eta vs tors. theta energy: 34.518 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 14 Temperature: 0.900000 Total energy: -1466.514086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1466.514086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1466.514086 (E_RNA) where: Base-Base interactions energy: -830.621 where: short stacking energy: -475.401 Base-Backbone interact. energy: -0.920 local terms energy: -634.972797 where: bonds (distance) C4'-P energy: -139.725 bonds (distance) P-C4' energy: -141.410 flat angles C4'-P-C4' energy: -144.292 flat angles P-C4'-P energy: -91.515 tors. eta vs tors. theta energy: -118.029 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: 1 ===================================== Write number: 14 Temperature: 0.950000 Total energy: -1440.166146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1440.166146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1440.166146 (E_RNA) where: Base-Base interactions energy: -824.398 where: short stacking energy: -432.131 Base-Backbone interact. energy: -2.211 local terms energy: -613.557679 where: bonds (distance) C4'-P energy: -130.090 bonds (distance) P-C4' energy: -135.849 flat angles C4'-P-C4' energy: -137.887 flat angles P-C4'-P energy: -93.002 tors. eta vs tors. theta energy: -116.730 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 14 Temperature: 1.000000 Total energy: -1367.820860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1367.820860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1367.820860 (E_RNA) where: Base-Base interactions energy: -791.438 where: short stacking energy: -418.471 Base-Backbone interact. energy: 2.436 local terms energy: -578.819204 where: bonds (distance) C4'-P energy: -131.599 bonds (distance) P-C4' energy: -134.712 flat angles C4'-P-C4' energy: -122.236 flat angles P-C4'-P energy: -82.628 tors. eta vs tors. theta energy: -107.643 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 14 Temperature: 1.050000 Total energy: -1128.848818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1128.848818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1128.848818 (E_RNA) where: Base-Base interactions energy: -613.296 where: short stacking energy: -328.122 Base-Backbone interact. energy: 0.743 local terms energy: -516.296042 where: bonds (distance) C4'-P energy: -128.901 bonds (distance) P-C4' energy: -127.064 flat angles C4'-P-C4' energy: -108.665 flat angles P-C4'-P energy: -80.361 tors. eta vs tors. theta energy: -71.304 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 14 Temperature: 1.100000 Total energy: -1106.065310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1106.065310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1106.065310 (E_RNA) where: Base-Base interactions energy: -629.331 where: short stacking energy: -330.981 Base-Backbone interact. energy: -4.409 local terms energy: -472.325275 where: bonds (distance) C4'-P energy: -100.594 bonds (distance) P-C4' energy: -121.866 flat angles C4'-P-C4' energy: -109.408 flat angles P-C4'-P energy: -73.395 tors. eta vs tors. theta energy: -67.063 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: 8 ===================================== Write number: 14 Temperature: 1.150000 Total energy: -902.419164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -902.419164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -902.419164 (E_RNA) where: Base-Base interactions energy: -481.743 where: short stacking energy: -281.848 Base-Backbone interact. energy: -1.198 local terms energy: -419.477849 where: bonds (distance) C4'-P energy: -121.219 bonds (distance) P-C4' energy: -126.690 flat angles C4'-P-C4' energy: -95.922 flat angles P-C4'-P energy: -39.593 tors. eta vs tors. theta energy: -36.054 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 14 Temperature: 1.200000 Total energy: -701.067679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -701.067679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -701.067679 (E_RNA) where: Base-Base interactions energy: -298.565 where: short stacking energy: -187.651 Base-Backbone interact. energy: -2.825 local terms energy: -399.677412 where: bonds (distance) C4'-P energy: -103.445 bonds (distance) P-C4' energy: -126.357 flat angles C4'-P-C4' energy: -94.381 flat angles P-C4'-P energy: -71.315 tors. eta vs tors. theta energy: -4.180 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 14 Temperature: 1.250000 Total energy: -579.352367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -579.352367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -579.352367 (E_RNA) where: Base-Base interactions energy: -233.477 where: short stacking energy: -170.075 Base-Backbone interact. energy: 0.340 local terms energy: -346.215674 where: bonds (distance) C4'-P energy: -106.683 bonds (distance) P-C4' energy: -113.207 flat angles C4'-P-C4' energy: -90.085 flat angles P-C4'-P energy: -55.714 tors. eta vs tors. theta energy: 19.473 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 14 Temperature: 1.300000 Total energy: -544.476541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -544.476541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -544.476541 (E_RNA) where: Base-Base interactions energy: -195.643 where: short stacking energy: -145.171 Base-Backbone interact. energy: 0.315 local terms energy: -349.936488 where: bonds (distance) C4'-P energy: -114.147 bonds (distance) P-C4' energy: -109.026 flat angles C4'-P-C4' energy: -103.561 flat angles P-C4'-P energy: -40.682 tors. eta vs tors. theta energy: 17.478 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.788 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 14 Temperature: 1.350000 Total energy: -500.152205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -500.152205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -500.152205 (E_RNA) where: Base-Base interactions energy: -167.455 where: short stacking energy: -122.746 Base-Backbone interact. energy: 1.152 local terms energy: -333.849349 where: bonds (distance) C4'-P energy: -111.002 bonds (distance) P-C4' energy: -109.729 flat angles C4'-P-C4' energy: -98.585 flat angles P-C4'-P energy: -55.287 tors. eta vs tors. theta energy: 40.753 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 15 Temperature: 0.900000 Total energy: -1439.596389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1439.596389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1439.596389 (E_RNA) where: Base-Base interactions energy: -829.860 where: short stacking energy: -443.560 Base-Backbone interact. energy: -3.018 local terms energy: -606.718426 where: bonds (distance) C4'-P energy: -136.553 bonds (distance) P-C4' energy: -122.143 flat angles C4'-P-C4' energy: -134.701 flat angles P-C4'-P energy: -94.889 tors. eta vs tors. theta energy: -118.432 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 15 Temperature: 0.950000 Total energy: -1433.167659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1433.167659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1433.167659 (E_RNA) where: Base-Base interactions energy: -862.341 where: short stacking energy: -427.490 Base-Backbone interact. energy: 1.477 local terms energy: -572.303046 where: bonds (distance) C4'-P energy: -115.456 bonds (distance) P-C4' energy: -137.495 flat angles C4'-P-C4' energy: -143.926 flat angles P-C4'-P energy: -81.076 tors. eta vs tors. theta energy: -94.349 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 15 Temperature: 1.000000 Total energy: -1373.202504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1373.202504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1373.202504 (E_RNA) where: Base-Base interactions energy: -795.295 where: short stacking energy: -414.525 Base-Backbone interact. energy: -1.609 local terms energy: -576.298418 where: bonds (distance) C4'-P energy: -135.528 bonds (distance) P-C4' energy: -129.583 flat angles C4'-P-C4' energy: -122.813 flat angles P-C4'-P energy: -84.251 tors. eta vs tors. theta energy: -104.123 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 15 Temperature: 1.050000 Total energy: -1206.516871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1206.516871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1206.516871 (E_RNA) where: Base-Base interactions energy: -695.544 where: short stacking energy: -388.748 Base-Backbone interact. energy: 1.401 local terms energy: -512.373828 where: bonds (distance) C4'-P energy: -109.437 bonds (distance) P-C4' energy: -102.506 flat angles C4'-P-C4' energy: -130.397 flat angles P-C4'-P energy: -85.068 tors. eta vs tors. theta energy: -84.967 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 15 Temperature: 1.100000 Total energy: -1095.207783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1095.207783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1095.207783 (E_RNA) where: Base-Base interactions energy: -584.757 where: short stacking energy: -323.055 Base-Backbone interact. energy: -0.660 local terms energy: -509.790871 where: bonds (distance) C4'-P energy: -103.085 bonds (distance) P-C4' energy: -131.557 flat angles C4'-P-C4' energy: -107.960 flat angles P-C4'-P energy: -89.574 tors. eta vs tors. theta energy: -77.615 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: 8 ===================================== Write number: 15 Temperature: 1.150000 Total energy: -932.414295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -932.414295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -932.414295 (E_RNA) where: Base-Base interactions energy: -491.714 where: short stacking energy: -281.355 Base-Backbone interact. energy: -1.909 local terms energy: -438.791240 where: bonds (distance) C4'-P energy: -124.811 bonds (distance) P-C4' energy: -116.258 flat angles C4'-P-C4' energy: -101.185 flat angles P-C4'-P energy: -51.343 tors. eta vs tors. theta energy: -45.194 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 15 Temperature: 1.200000 Total energy: -774.984254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -774.984254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -774.984254 (E_RNA) where: Base-Base interactions energy: -362.608 where: short stacking energy: -197.315 Base-Backbone interact. energy: -2.399 local terms energy: -409.976882 where: bonds (distance) C4'-P energy: -116.870 bonds (distance) P-C4' energy: -123.859 flat angles C4'-P-C4' energy: -100.734 flat angles P-C4'-P energy: -55.624 tors. eta vs tors. theta energy: -12.889 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 15 Temperature: 1.250000 Total energy: -563.119319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -563.119319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -563.119319 (E_RNA) where: Base-Base interactions energy: -205.743 where: short stacking energy: -174.749 Base-Backbone interact. energy: -0.340 local terms energy: -357.035844 where: bonds (distance) C4'-P energy: -102.363 bonds (distance) P-C4' energy: -126.676 flat angles C4'-P-C4' energy: -99.571 flat angles P-C4'-P energy: -41.719 tors. eta vs tors. theta energy: 13.294 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: 3 ===================================== Write number: 15 Temperature: 1.300000 Total energy: -511.529302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -511.529302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -511.529302 (E_RNA) where: Base-Base interactions energy: -148.830 where: short stacking energy: -114.002 Base-Backbone interact. energy: 0.044 local terms energy: -362.743006 where: bonds (distance) C4'-P energy: -117.529 bonds (distance) P-C4' energy: -117.784 flat angles C4'-P-C4' energy: -112.650 flat angles P-C4'-P energy: -58.647 tors. eta vs tors. theta energy: 43.866 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 15 Temperature: 1.350000 Total energy: -484.463311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -484.463311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -484.463311 (E_RNA) where: Base-Base interactions energy: -175.479 where: short stacking energy: -136.431 Base-Backbone interact. energy: 4.770 local terms energy: -313.801583 where: bonds (distance) C4'-P energy: -94.097 bonds (distance) P-C4' energy: -99.951 flat angles C4'-P-C4' energy: -100.858 flat angles P-C4'-P energy: -42.605 tors. eta vs tors. theta energy: 23.709 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.047 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 16 Temperature: 0.900000 Total energy: -1552.287233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1552.287233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1552.287233 (E_RNA) where: Base-Base interactions energy: -934.657 where: short stacking energy: -445.240 Base-Backbone interact. energy: -4.215 local terms energy: -613.414752 where: bonds (distance) C4'-P energy: -148.596 bonds (distance) P-C4' energy: -133.411 flat angles C4'-P-C4' energy: -139.441 flat angles P-C4'-P energy: -90.294 tors. eta vs tors. theta energy: -101.672 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: 2, replica: 2 ===================================== Write number: 16 Temperature: 0.950000 Total energy: -1459.017685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1459.017685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1459.017685 (E_RNA) where: Base-Base interactions energy: -883.569 where: short stacking energy: -458.896 Base-Backbone interact. energy: -3.642 local terms energy: -571.806698 where: bonds (distance) C4'-P energy: -139.282 bonds (distance) P-C4' energy: -123.652 flat angles C4'-P-C4' energy: -139.454 flat angles P-C4'-P energy: -68.574 tors. eta vs tors. theta energy: -100.845 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: 3, replica: 6 ===================================== Write number: 16 Temperature: 1.000000 Total energy: -1393.060217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1393.060217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1393.060217 (E_RNA) where: Base-Base interactions energy: -783.583 where: short stacking energy: -439.365 Base-Backbone interact. energy: -2.973 local terms energy: -606.504070 where: bonds (distance) C4'-P energy: -118.991 bonds (distance) P-C4' energy: -142.862 flat angles C4'-P-C4' energy: -131.579 flat angles P-C4'-P energy: -97.115 tors. eta vs tors. theta energy: -115.958 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: 4, replica: 1 ===================================== Write number: 16 Temperature: 1.050000 Total energy: -1242.957455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1242.957455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1242.957455 (E_RNA) where: Base-Base interactions energy: -699.337 where: short stacking energy: -370.338 Base-Backbone interact. energy: 3.317 local terms energy: -546.937742 where: bonds (distance) C4'-P energy: -115.806 bonds (distance) P-C4' energy: -123.341 flat angles C4'-P-C4' energy: -131.043 flat angles P-C4'-P energy: -86.608 tors. eta vs tors. theta energy: -90.139 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 16 Temperature: 1.100000 Total energy: -1109.923810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1109.923810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1109.923810 (E_RNA) where: Base-Base interactions energy: -597.648 where: short stacking energy: -322.560 Base-Backbone interact. energy: -3.088 local terms energy: -509.187821 where: bonds (distance) C4'-P energy: -117.670 bonds (distance) P-C4' energy: -123.366 flat angles C4'-P-C4' energy: -121.127 flat angles P-C4'-P energy: -66.459 tors. eta vs tors. theta energy: -80.566 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: 16 Temperature: 1.150000 Total energy: -918.753527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -918.753527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -918.753527 (E_RNA) where: Base-Base interactions energy: -444.237 where: short stacking energy: -267.847 Base-Backbone interact. energy: -1.923 local terms energy: -472.593400 where: bonds (distance) C4'-P energy: -109.944 bonds (distance) P-C4' energy: -135.852 flat angles C4'-P-C4' energy: -120.602 flat angles P-C4'-P energy: -55.683 tors. eta vs tors. theta energy: -50.512 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: 10 ===================================== Write number: 16 Temperature: 1.200000 Total energy: -756.532795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -756.532795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -756.532795 (E_RNA) where: Base-Base interactions energy: -339.018 where: short stacking energy: -216.932 Base-Backbone interact. energy: 3.902 local terms energy: -421.416346 where: bonds (distance) C4'-P energy: -102.362 bonds (distance) P-C4' energy: -124.314 flat angles C4'-P-C4' energy: -104.659 flat angles P-C4'-P energy: -61.554 tors. eta vs tors. theta energy: -28.528 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: 16 Temperature: 1.250000 Total energy: -588.233564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -588.233564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -588.233564 (E_RNA) where: Base-Base interactions energy: -222.683 where: short stacking energy: -167.647 Base-Backbone interact. energy: 0.006 local terms energy: -365.556760 where: bonds (distance) C4'-P energy: -82.580 bonds (distance) P-C4' energy: -114.920 flat angles C4'-P-C4' energy: -100.909 flat angles P-C4'-P energy: -59.674 tors. eta vs tors. theta energy: -7.474 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 16 Temperature: 1.300000 Total energy: -514.606760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -514.606760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -514.606760 (E_RNA) where: Base-Base interactions energy: -152.103 where: short stacking energy: -124.355 Base-Backbone interact. energy: 1.894 local terms energy: -364.397528 where: bonds (distance) C4'-P energy: -115.734 bonds (distance) P-C4' energy: -118.798 flat angles C4'-P-C4' energy: -81.326 flat angles P-C4'-P energy: -69.157 tors. eta vs tors. theta energy: 20.617 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 16 Temperature: 1.350000 Total energy: -494.034677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -494.034677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -494.034677 (E_RNA) where: Base-Base interactions energy: -159.971 where: short stacking energy: -129.066 Base-Backbone interact. energy: 7.937 local terms energy: -342.000354 where: bonds (distance) C4'-P energy: -117.381 bonds (distance) P-C4' energy: -128.337 flat angles C4'-P-C4' energy: -72.972 flat angles P-C4'-P energy: -51.175 tors. eta vs tors. theta energy: 27.866 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 17 Temperature: 0.900000 Total energy: -1562.154439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1562.154439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1562.154439 (E_RNA) where: Base-Base interactions energy: -947.162 where: short stacking energy: -476.252 Base-Backbone interact. energy: -2.243 local terms energy: -612.749175 where: bonds (distance) C4'-P energy: -124.828 bonds (distance) P-C4' energy: -134.924 flat angles C4'-P-C4' energy: -141.494 flat angles P-C4'-P energy: -94.848 tors. eta vs tors. theta energy: -116.656 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 17 Temperature: 0.950000 Total energy: -1470.071962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1470.071962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1470.071962 (E_RNA) where: Base-Base interactions energy: -857.222 where: short stacking energy: -463.065 Base-Backbone interact. energy: -1.003 local terms energy: -611.846876 where: bonds (distance) C4'-P energy: -129.898 bonds (distance) P-C4' energy: -137.418 flat angles C4'-P-C4' energy: -137.243 flat angles P-C4'-P energy: -95.003 tors. eta vs tors. theta energy: -112.284 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 17 Temperature: 1.000000 Total energy: -1363.854274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1363.854274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1363.854274 (E_RNA) where: Base-Base interactions energy: -811.628 where: short stacking energy: -407.107 Base-Backbone interact. energy: 0.851 local terms energy: -553.077634 where: bonds (distance) C4'-P energy: -121.055 bonds (distance) P-C4' energy: -131.199 flat angles C4'-P-C4' energy: -117.662 flat angles P-C4'-P energy: -76.241 tors. eta vs tors. theta energy: -106.920 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 17 Temperature: 1.050000 Total energy: -1276.380817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1276.380817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1276.380817 (E_RNA) where: Base-Base interactions energy: -744.324 where: short stacking energy: -391.919 Base-Backbone interact. energy: -1.774 local terms energy: -530.282491 where: bonds (distance) C4'-P energy: -119.551 bonds (distance) P-C4' energy: -118.795 flat angles C4'-P-C4' energy: -139.402 flat angles P-C4'-P energy: -54.457 tors. eta vs tors. theta energy: -98.077 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 17 Temperature: 1.100000 Total energy: -1061.138940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1061.138940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1061.138940 (E_RNA) where: Base-Base interactions energy: -566.777 where: short stacking energy: -327.199 Base-Backbone interact. energy: 1.578 local terms energy: -495.939647 where: bonds (distance) C4'-P energy: -113.847 bonds (distance) P-C4' energy: -127.272 flat angles C4'-P-C4' energy: -124.246 flat angles P-C4'-P energy: -68.364 tors. eta vs tors. theta energy: -62.210 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 17 Temperature: 1.150000 Total energy: -1020.234899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1020.234899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1020.234899 (E_RNA) where: Base-Base interactions energy: -550.939 where: short stacking energy: -275.168 Base-Backbone interact. energy: 0.643 local terms energy: -469.938578 where: bonds (distance) C4'-P energy: -120.058 bonds (distance) P-C4' energy: -107.761 flat angles C4'-P-C4' energy: -127.618 flat angles P-C4'-P energy: -68.406 tors. eta vs tors. theta energy: -46.096 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 17 Temperature: 1.200000 Total energy: -831.992208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -831.992208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -831.992208 (E_RNA) where: Base-Base interactions energy: -405.715 where: short stacking energy: -232.885 Base-Backbone interact. energy: 4.178 local terms energy: -430.454440 where: bonds (distance) C4'-P energy: -99.710 bonds (distance) P-C4' energy: -112.167 flat angles C4'-P-C4' energy: -119.470 flat angles P-C4'-P energy: -79.219 tors. eta vs tors. theta energy: -19.888 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 17 Temperature: 1.250000 Total energy: -569.967920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -569.967920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -569.967920 (E_RNA) where: Base-Base interactions energy: -221.502 where: short stacking energy: -164.711 Base-Backbone interact. energy: 0.998 local terms energy: -349.463982 where: bonds (distance) C4'-P energy: -103.794 bonds (distance) P-C4' energy: -111.841 flat angles C4'-P-C4' energy: -87.052 flat angles P-C4'-P energy: -67.015 tors. eta vs tors. theta energy: 20.238 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 17 Temperature: 1.300000 Total energy: -532.979175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -532.979175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -532.979175 (E_RNA) where: Base-Base interactions energy: -207.288 where: short stacking energy: -174.778 Base-Backbone interact. energy: -0.033 local terms energy: -325.658229 where: bonds (distance) C4'-P energy: -90.036 bonds (distance) P-C4' energy: -91.239 flat angles C4'-P-C4' energy: -103.540 flat angles P-C4'-P energy: -63.625 tors. eta vs tors. theta energy: 22.783 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 17 Temperature: 1.350000 Total energy: -478.109902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -478.109902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -478.109902 (E_RNA) where: Base-Base interactions energy: -139.264 where: short stacking energy: -129.731 Base-Backbone interact. energy: -1.213 local terms energy: -337.632397 where: bonds (distance) C4'-P energy: -96.233 bonds (distance) P-C4' energy: -127.085 flat angles C4'-P-C4' energy: -76.604 flat angles P-C4'-P energy: -54.173 tors. eta vs tors. theta energy: 16.463 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 18 Temperature: 0.900000 Total energy: -1614.598778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1614.598778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1614.598778 (E_RNA) where: Base-Base interactions energy: -961.461 where: short stacking energy: -480.124 Base-Backbone interact. energy: -3.677 local terms energy: -649.460665 where: bonds (distance) C4'-P energy: -140.460 bonds (distance) P-C4' energy: -138.190 flat angles C4'-P-C4' energy: -145.043 flat angles P-C4'-P energy: -96.247 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: 2, replica: 6 ===================================== Write number: 18 Temperature: 0.950000 Total energy: -1531.833632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1531.833632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1531.833632 (E_RNA) where: Base-Base interactions energy: -936.413 where: short stacking energy: -455.083 Base-Backbone interact. energy: -1.239 local terms energy: -594.181830 where: bonds (distance) C4'-P energy: -132.453 bonds (distance) P-C4' energy: -131.015 flat angles C4'-P-C4' energy: -131.434 flat angles P-C4'-P energy: -86.366 tors. eta vs tors. theta energy: -112.914 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 18 Temperature: 1.000000 Total energy: -1392.544929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1392.544929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1392.544929 (E_RNA) where: Base-Base interactions energy: -821.503 where: short stacking energy: -441.081 Base-Backbone interact. energy: -2.462 local terms energy: -569.615745 where: bonds (distance) C4'-P energy: -117.899 bonds (distance) P-C4' energy: -141.628 flat angles C4'-P-C4' energy: -127.510 flat angles P-C4'-P energy: -90.160 tors. eta vs tors. theta energy: -92.418 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 1.035 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 18 Temperature: 1.050000 Total energy: -1214.074833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1214.074833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1214.074833 (E_RNA) where: Base-Base interactions energy: -684.788 where: short stacking energy: -357.343 Base-Backbone interact. energy: -2.658 local terms energy: -526.628884 where: bonds (distance) C4'-P energy: -126.893 bonds (distance) P-C4' energy: -123.719 flat angles C4'-P-C4' energy: -133.007 flat angles P-C4'-P energy: -76.900 tors. eta vs tors. theta energy: -66.111 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: 5, replica: 8 ===================================== Write number: 18 Temperature: 1.100000 Total energy: -1105.838180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1105.838180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1105.838180 (E_RNA) where: Base-Base interactions energy: -618.765 where: short stacking energy: -327.734 Base-Backbone interact. energy: 2.792 local terms energy: -489.864570 where: bonds (distance) C4'-P energy: -128.651 bonds (distance) P-C4' energy: -125.694 flat angles C4'-P-C4' energy: -106.881 flat angles P-C4'-P energy: -64.589 tors. eta vs tors. theta energy: -64.050 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: 5 ===================================== Write number: 18 Temperature: 1.150000 Total energy: -955.841272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -955.841272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -955.841272 (E_RNA) where: Base-Base interactions energy: -497.207 where: short stacking energy: -288.078 Base-Backbone interact. energy: 5.774 local terms energy: -464.408450 where: bonds (distance) C4'-P energy: -129.066 bonds (distance) P-C4' energy: -112.482 flat angles C4'-P-C4' energy: -90.673 flat angles P-C4'-P energy: -78.369 tors. eta vs tors. theta energy: -53.817 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 18 Temperature: 1.200000 Total energy: -913.909438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -913.909438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -913.909438 (E_RNA) where: Base-Base interactions energy: -487.639 where: short stacking energy: -260.434 Base-Backbone interact. energy: -3.099 local terms energy: -423.170906 where: bonds (distance) C4'-P energy: -115.909 bonds (distance) P-C4' energy: -113.185 flat angles C4'-P-C4' energy: -119.597 flat angles P-C4'-P energy: -52.185 tors. eta vs tors. theta energy: -22.295 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: 8, replica: 7 ===================================== Write number: 18 Temperature: 1.250000 Total energy: -583.367665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -583.367665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -583.367665 (E_RNA) where: Base-Base interactions energy: -222.484 where: short stacking energy: -168.142 Base-Backbone interact. energy: -2.495 local terms energy: -358.388177 where: bonds (distance) C4'-P energy: -107.707 bonds (distance) P-C4' energy: -112.482 flat angles C4'-P-C4' energy: -108.023 flat angles P-C4'-P energy: -57.206 tors. eta vs tors. theta energy: 27.030 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: 9 ===================================== Write number: 18 Temperature: 1.300000 Total energy: -547.697045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -547.697045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -547.697045 (E_RNA) where: Base-Base interactions energy: -201.585 where: short stacking energy: -173.320 Base-Backbone interact. energy: 2.898 local terms energy: -349.009842 where: bonds (distance) C4'-P energy: -106.317 bonds (distance) P-C4' energy: -97.475 flat angles C4'-P-C4' energy: -96.016 flat angles P-C4'-P energy: -48.258 tors. eta vs tors. theta energy: -0.945 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 18 Temperature: 1.350000 Total energy: -472.769828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -472.769828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -472.769828 (E_RNA) where: Base-Base interactions energy: -138.862 where: short stacking energy: -112.362 Base-Backbone interact. energy: 2.839 local terms energy: -336.747581 where: bonds (distance) C4'-P energy: -95.987 bonds (distance) P-C4' energy: -111.869 flat angles C4'-P-C4' energy: -90.335 flat angles P-C4'-P energy: -64.368 tors. eta vs tors. theta energy: 25.812 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: 1, replica: 4 ===================================== Write number: 19 Temperature: 0.900000 Total energy: -1596.480216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1596.480216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1596.480216 (E_RNA) where: Base-Base interactions energy: -987.850 where: short stacking energy: -465.843 Base-Backbone interact. energy: -6.521 local terms energy: -602.108864 where: bonds (distance) C4'-P energy: -119.528 bonds (distance) P-C4' energy: -130.681 flat angles C4'-P-C4' energy: -132.750 flat angles P-C4'-P energy: -90.387 tors. eta vs tors. theta energy: -128.762 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 19 Temperature: 0.950000 Total energy: -1624.575721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1624.575721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1624.575721 (E_RNA) where: Base-Base interactions energy: -1008.834 where: short stacking energy: -493.082 Base-Backbone interact. energy: -4.261 local terms energy: -611.480796 where: bonds (distance) C4'-P energy: -129.177 bonds (distance) P-C4' energy: -129.984 flat angles C4'-P-C4' energy: -136.769 flat angles P-C4'-P energy: -88.761 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: 3, replica: 2 ===================================== Write number: 19 Temperature: 1.000000 Total energy: -1417.356809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1417.356809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1417.356809 (E_RNA) where: Base-Base interactions energy: -840.036 where: short stacking energy: -400.812 Base-Backbone interact. energy: -2.519 local terms energy: -574.801643 where: bonds (distance) C4'-P energy: -133.305 bonds (distance) P-C4' energy: -133.713 flat angles C4'-P-C4' energy: -125.788 flat angles P-C4'-P energy: -83.103 tors. eta vs tors. theta energy: -98.893 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 19 Temperature: 1.050000 Total energy: -1261.800067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1261.800067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1261.800067 (E_RNA) where: Base-Base interactions energy: -729.401 where: short stacking energy: -396.219 Base-Backbone interact. energy: 2.267 local terms energy: -534.666456 where: bonds (distance) C4'-P energy: -117.163 bonds (distance) P-C4' energy: -114.855 flat angles C4'-P-C4' energy: -124.983 flat angles P-C4'-P energy: -92.588 tors. eta vs tors. theta energy: -85.078 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: 8 ===================================== Write number: 19 Temperature: 1.100000 Total energy: -1140.232011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1140.232011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1140.232011 (E_RNA) where: Base-Base interactions energy: -595.455 where: short stacking energy: -316.511 Base-Backbone interact. energy: -3.772 local terms energy: -541.005052 where: bonds (distance) C4'-P energy: -126.686 bonds (distance) P-C4' energy: -130.391 flat angles C4'-P-C4' energy: -131.553 flat angles P-C4'-P energy: -82.828 tors. eta vs tors. theta energy: -69.548 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 19 Temperature: 1.150000 Total energy: -1011.615159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1011.615159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1011.615159 (E_RNA) where: Base-Base interactions energy: -510.407 where: short stacking energy: -291.559 Base-Backbone interact. energy: 0.035 local terms energy: -501.242593 where: bonds (distance) C4'-P energy: -115.313 bonds (distance) P-C4' energy: -127.063 flat angles C4'-P-C4' energy: -128.837 flat angles P-C4'-P energy: -65.683 tors. eta vs tors. theta energy: -64.348 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: 10 ===================================== Write number: 19 Temperature: 1.200000 Total energy: -941.217684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -941.217684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -941.217684 (E_RNA) where: Base-Base interactions energy: -476.378 where: short stacking energy: -257.199 Base-Backbone interact. energy: -1.317 local terms energy: -463.522114 where: bonds (distance) C4'-P energy: -114.268 bonds (distance) P-C4' energy: -108.995 flat angles C4'-P-C4' energy: -122.155 flat angles P-C4'-P energy: -81.249 tors. eta vs tors. theta energy: -36.855 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 19 Temperature: 1.250000 Total energy: -625.611418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -625.611418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -625.611418 (E_RNA) where: Base-Base interactions energy: -250.098 where: short stacking energy: -183.355 Base-Backbone interact. energy: 5.889 local terms energy: -381.568471 where: bonds (distance) C4'-P energy: -99.543 bonds (distance) P-C4' energy: -135.401 flat angles C4'-P-C4' energy: -88.113 flat angles P-C4'-P energy: -53.019 tors. eta vs tors. theta energy: -5.492 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.166 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 19 Temperature: 1.300000 Total energy: -497.976994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -497.976994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -497.976994 (E_RNA) where: Base-Base interactions energy: -163.552 where: short stacking energy: -135.389 Base-Backbone interact. energy: 2.757 local terms energy: -337.181734 where: bonds (distance) C4'-P energy: -103.182 bonds (distance) P-C4' energy: -116.132 flat angles C4'-P-C4' energy: -96.232 flat angles P-C4'-P energy: -41.713 tors. eta vs tors. theta energy: 20.077 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: 3 ===================================== Write number: 19 Temperature: 1.350000 Total energy: -482.854487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -482.854487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -482.854487 (E_RNA) where: Base-Base interactions energy: -162.212 where: short stacking energy: -146.689 Base-Backbone interact. energy: 0.195 local terms energy: -320.836812 where: bonds (distance) C4'-P energy: -100.603 bonds (distance) P-C4' energy: -119.392 flat angles C4'-P-C4' energy: -75.469 flat angles P-C4'-P energy: -47.646 tors. eta vs tors. theta energy: 22.274 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 20 Temperature: 0.900000 Total energy: -1619.559478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1619.559478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1619.559478 (E_RNA) where: Base-Base interactions energy: -980.891 where: short stacking energy: -492.896 Base-Backbone interact. energy: -0.461 local terms energy: -638.207747 where: bonds (distance) C4'-P energy: -125.080 bonds (distance) P-C4' energy: -132.385 flat angles C4'-P-C4' energy: -142.277 flat angles P-C4'-P energy: -94.261 tors. eta vs tors. theta energy: -144.205 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 20 Temperature: 0.950000 Total energy: -1612.208811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1612.208811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1612.208811 (E_RNA) where: Base-Base interactions energy: -1003.183 where: short stacking energy: -500.721 Base-Backbone interact. energy: 0.227 local terms energy: -609.252324 where: bonds (distance) C4'-P energy: -123.590 bonds (distance) P-C4' energy: -132.460 flat angles C4'-P-C4' energy: -128.855 flat angles P-C4'-P energy: -86.452 tors. eta vs tors. theta energy: -137.896 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 20 Temperature: 1.000000 Total energy: -1403.231120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1403.231120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1403.231120 (E_RNA) where: Base-Base interactions energy: -835.907 where: short stacking energy: -441.981 Base-Backbone interact. energy: -0.506 local terms energy: -566.818732 where: bonds (distance) C4'-P energy: -122.208 bonds (distance) P-C4' energy: -116.295 flat angles C4'-P-C4' energy: -135.154 flat angles P-C4'-P energy: -83.542 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: 4, replica: 1 ===================================== Write number: 20 Temperature: 1.050000 Total energy: -1325.004811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1325.004811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1325.004811 (E_RNA) where: Base-Base interactions energy: -758.989 where: short stacking energy: -398.126 Base-Backbone interact. energy: -0.187 local terms energy: -565.828126 where: bonds (distance) C4'-P energy: -123.154 bonds (distance) P-C4' energy: -126.014 flat angles C4'-P-C4' energy: -132.097 flat angles P-C4'-P energy: -87.908 tors. eta vs tors. theta energy: -96.655 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: 20 Temperature: 1.100000 Total energy: -1161.427139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1161.427139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1161.427139 (E_RNA) where: Base-Base interactions energy: -661.318 where: short stacking energy: -336.822 Base-Backbone interact. energy: -1.187 local terms energy: -498.921685 where: bonds (distance) C4'-P energy: -113.868 bonds (distance) P-C4' energy: -135.653 flat angles C4'-P-C4' energy: -122.776 flat angles P-C4'-P energy: -65.488 tors. eta vs tors. theta energy: -61.137 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: 5 ===================================== Write number: 20 Temperature: 1.150000 Total energy: -989.188473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -989.188473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -989.188473 (E_RNA) where: Base-Base interactions energy: -526.610 where: short stacking energy: -276.844 Base-Backbone interact. energy: -1.301 local terms energy: -461.277173 where: bonds (distance) C4'-P energy: -110.835 bonds (distance) P-C4' energy: -118.316 flat angles C4'-P-C4' energy: -116.671 flat angles P-C4'-P energy: -76.812 tors. eta vs tors. theta energy: -38.643 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 20 Temperature: 1.200000 Total energy: -980.187176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -980.187176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -980.187176 (E_RNA) where: Base-Base interactions energy: -526.810 where: short stacking energy: -264.222 Base-Backbone interact. energy: -2.301 local terms energy: -451.076058 where: bonds (distance) C4'-P energy: -119.792 bonds (distance) P-C4' energy: -103.860 flat angles C4'-P-C4' energy: -106.065 flat angles P-C4'-P energy: -77.993 tors. eta vs tors. theta energy: -43.367 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: 8, replica: 9 ===================================== Write number: 20 Temperature: 1.250000 Total energy: -611.787389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -611.787389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -611.787389 (E_RNA) where: Base-Base interactions energy: -243.699 where: short stacking energy: -189.272 Base-Backbone interact. energy: -2.016 local terms energy: -366.072404 where: bonds (distance) C4'-P energy: -108.999 bonds (distance) P-C4' energy: -120.948 flat angles C4'-P-C4' energy: -92.777 flat angles P-C4'-P energy: -50.976 tors. eta vs tors. theta energy: 7.628 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: 7 ===================================== Write number: 20 Temperature: 1.300000 Total energy: -529.424740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -529.424740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -529.424740 (E_RNA) where: Base-Base interactions energy: -174.121 where: short stacking energy: -149.971 Base-Backbone interact. energy: 5.465 local terms energy: -360.768892 where: bonds (distance) C4'-P energy: -108.489 bonds (distance) P-C4' energy: -116.942 flat angles C4'-P-C4' energy: -93.495 flat angles P-C4'-P energy: -56.498 tors. eta vs tors. theta energy: 14.654 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 20 Temperature: 1.350000 Total energy: -502.375369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -502.375369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -502.375369 (E_RNA) where: Base-Base interactions energy: -159.018 where: short stacking energy: -122.569 Base-Backbone interact. energy: -3.277 local terms energy: -340.080853 where: bonds (distance) C4'-P energy: -94.231 bonds (distance) P-C4' energy: -113.446 flat angles C4'-P-C4' energy: -100.334 flat angles P-C4'-P energy: -55.799 tors. eta vs tors. theta energy: 23.728 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: 1, replica: 4 ===================================== Write number: 21 Temperature: 0.900000 Total energy: -1650.200435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1650.200435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1650.200435 (E_RNA) where: Base-Base interactions energy: -987.090 where: short stacking energy: -477.541 Base-Backbone interact. energy: -2.040 local terms energy: -661.070878 where: bonds (distance) C4'-P energy: -125.238 bonds (distance) P-C4' energy: -159.158 flat angles C4'-P-C4' energy: -129.622 flat angles P-C4'-P energy: -96.492 tors. eta vs tors. theta energy: -150.560 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 21 Temperature: 0.950000 Total energy: -1651.818361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1651.818361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1651.818361 (E_RNA) where: Base-Base interactions energy: -1031.882 where: short stacking energy: -508.579 Base-Backbone interact. energy: 1.934 local terms energy: -621.870882 where: bonds (distance) C4'-P energy: -138.153 bonds (distance) P-C4' energy: -123.335 flat angles C4'-P-C4' energy: -125.946 flat angles P-C4'-P energy: -97.232 tors. eta vs tors. theta energy: -137.205 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 21 Temperature: 1.000000 Total energy: -1387.914857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1387.914857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1387.914857 (E_RNA) where: Base-Base interactions energy: -855.426 where: short stacking energy: -401.428 Base-Backbone interact. energy: 1.032 local terms energy: -533.520826 where: bonds (distance) C4'-P energy: -125.589 bonds (distance) P-C4' energy: -127.789 flat angles C4'-P-C4' energy: -125.183 flat angles P-C4'-P energy: -73.069 tors. eta vs tors. theta energy: -81.890 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: 4, replica: 1 ===================================== Write number: 21 Temperature: 1.050000 Total energy: -1306.650480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1306.650480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1306.650480 (E_RNA) where: Base-Base interactions energy: -741.963 where: short stacking energy: -389.370 Base-Backbone interact. energy: -0.671 local terms energy: -564.016160 where: bonds (distance) C4'-P energy: -124.827 bonds (distance) P-C4' energy: -112.526 flat angles C4'-P-C4' energy: -132.802 flat angles P-C4'-P energy: -81.619 tors. eta vs tors. theta energy: -112.243 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: 8 ===================================== Write number: 21 Temperature: 1.100000 Total energy: -1205.113513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1205.113513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1205.113513 (E_RNA) where: Base-Base interactions energy: -699.858 where: short stacking energy: -340.422 Base-Backbone interact. energy: -2.297 local terms energy: -502.959068 where: bonds (distance) C4'-P energy: -112.405 bonds (distance) P-C4' energy: -127.218 flat angles C4'-P-C4' energy: -120.557 flat angles P-C4'-P energy: -71.481 tors. eta vs tors. theta energy: -71.297 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 21 Temperature: 1.150000 Total energy: -1039.969544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1039.969544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1039.969544 (E_RNA) where: Base-Base interactions energy: -565.934 where: short stacking energy: -314.823 Base-Backbone interact. energy: -2.543 local terms energy: -471.491749 where: bonds (distance) C4'-P energy: -115.874 bonds (distance) P-C4' energy: -131.857 flat angles C4'-P-C4' energy: -105.180 flat angles P-C4'-P energy: -69.150 tors. eta vs tors. theta energy: -49.430 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: 7, replica: 10 ===================================== Write number: 21 Temperature: 1.200000 Total energy: -992.920765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -992.920765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -992.920765 (E_RNA) where: Base-Base interactions energy: -549.567 where: short stacking energy: -287.167 Base-Backbone interact. energy: -2.521 local terms energy: -440.833050 where: bonds (distance) C4'-P energy: -104.074 bonds (distance) P-C4' energy: -121.467 flat angles C4'-P-C4' energy: -106.604 flat angles P-C4'-P energy: -70.070 tors. eta vs tors. theta energy: -38.617 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: 7 ===================================== Write number: 21 Temperature: 1.250000 Total energy: -648.917583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -648.917583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -648.917583 (E_RNA) where: Base-Base interactions energy: -293.410 where: short stacking energy: -195.578 Base-Backbone interact. energy: 4.363 local terms energy: -359.870636 where: bonds (distance) C4'-P energy: -96.761 bonds (distance) P-C4' energy: -125.423 flat angles C4'-P-C4' energy: -108.484 flat angles P-C4'-P energy: -45.855 tors. eta vs tors. theta energy: 16.652 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: 9 ===================================== Write number: 21 Temperature: 1.300000 Total energy: -531.732736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -531.732736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -531.732736 (E_RNA) where: Base-Base interactions energy: -193.784 where: short stacking energy: -157.083 Base-Backbone interact. energy: 0.045 local terms energy: -337.993641 where: bonds (distance) C4'-P energy: -99.326 bonds (distance) P-C4' energy: -115.091 flat angles C4'-P-C4' energy: -80.330 flat angles P-C4'-P energy: -56.009 tors. eta vs tors. theta energy: 12.762 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: 10, replica: 3 ===================================== Write number: 21 Temperature: 1.350000 Total energy: -491.003547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -491.003547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -491.003547 (E_RNA) where: Base-Base interactions energy: -169.244 where: short stacking energy: -151.704 Base-Backbone interact. energy: -0.859 local terms energy: -320.900227 where: bonds (distance) C4'-P energy: -92.956 bonds (distance) P-C4' energy: -111.003 flat angles C4'-P-C4' energy: -81.506 flat angles P-C4'-P energy: -52.764 tors. eta vs tors. theta energy: 17.328 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 22 Temperature: 0.900000 Total energy: -1768.850663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1768.850663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1768.850663 (E_RNA) where: Base-Base interactions energy: -1109.012 where: short stacking energy: -537.892 Base-Backbone interact. energy: -2.286 local terms energy: -657.552368 where: bonds (distance) C4'-P energy: -148.591 bonds (distance) P-C4' energy: -129.761 flat angles C4'-P-C4' energy: -136.764 flat angles P-C4'-P energy: -101.512 tors. eta vs tors. theta energy: -140.925 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: 4 ===================================== Write number: 22 Temperature: 0.950000 Total energy: -1560.231437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1560.231437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1560.231437 (E_RNA) where: Base-Base interactions energy: -956.593 where: short stacking energy: -480.322 Base-Backbone interact. energy: -1.712 local terms energy: -601.927049 where: bonds (distance) C4'-P energy: -125.956 bonds (distance) P-C4' energy: -128.317 flat angles C4'-P-C4' energy: -134.324 flat angles P-C4'-P energy: -87.865 tors. eta vs tors. theta energy: -125.466 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: 2 ===================================== Write number: 22 Temperature: 1.000000 Total energy: -1415.296420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1415.296420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1415.296420 (E_RNA) where: Base-Base interactions energy: -838.807 where: short stacking energy: -394.866 Base-Backbone interact. energy: -0.413 local terms energy: -576.076626 where: bonds (distance) C4'-P energy: -127.664 bonds (distance) P-C4' energy: -120.052 flat angles C4'-P-C4' energy: -135.936 flat angles P-C4'-P energy: -88.188 tors. eta vs tors. theta energy: -104.237 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 22 Temperature: 1.050000 Total energy: -1249.025209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1249.025209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1249.025209 (E_RNA) where: Base-Base interactions energy: -687.440 where: short stacking energy: -389.240 Base-Backbone interact. energy: -1.444 local terms energy: -560.141232 where: bonds (distance) C4'-P energy: -130.583 bonds (distance) P-C4' energy: -131.611 flat angles C4'-P-C4' energy: -135.833 flat angles P-C4'-P energy: -76.808 tors. eta vs tors. theta energy: -85.306 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: 8 ===================================== Write number: 22 Temperature: 1.100000 Total energy: -1310.760134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1310.760134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1310.760134 (E_RNA) where: Base-Base interactions energy: -793.324 where: short stacking energy: -385.738 Base-Backbone interact. energy: 5.080 local terms energy: -522.515780 where: bonds (distance) C4'-P energy: -115.449 bonds (distance) P-C4' energy: -111.418 flat angles C4'-P-C4' energy: -115.743 flat angles P-C4'-P energy: -83.888 tors. eta vs tors. theta energy: -96.017 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 22 Temperature: 1.150000 Total energy: -984.111854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -984.111854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -984.111854 (E_RNA) where: Base-Base interactions energy: -524.515 where: short stacking energy: -268.683 Base-Backbone interact. energy: 2.148 local terms energy: -461.744171 where: bonds (distance) C4'-P energy: -111.228 bonds (distance) P-C4' energy: -133.783 flat angles C4'-P-C4' energy: -122.348 flat angles P-C4'-P energy: -55.278 tors. eta vs tors. theta energy: -39.107 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 22 Temperature: 1.200000 Total energy: -1000.235691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1000.235691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1000.235691 (E_RNA) where: Base-Base interactions energy: -585.240 where: short stacking energy: -295.768 Base-Backbone interact. energy: -0.638 local terms energy: -414.357573 where: bonds (distance) C4'-P energy: -105.811 bonds (distance) P-C4' energy: -95.924 flat angles C4'-P-C4' energy: -100.194 flat angles P-C4'-P energy: -62.969 tors. eta vs tors. theta energy: -49.460 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 22 Temperature: 1.250000 Total energy: -803.813183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -803.813183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -803.813183 (E_RNA) where: Base-Base interactions energy: -369.407 where: short stacking energy: -205.435 Base-Backbone interact. energy: -0.914 local terms energy: -433.492537 where: bonds (distance) C4'-P energy: -115.506 bonds (distance) P-C4' energy: -137.329 flat angles C4'-P-C4' energy: -99.510 flat angles P-C4'-P energy: -61.419 tors. eta vs tors. theta energy: -19.729 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 22 Temperature: 1.300000 Total energy: -504.025865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -504.025865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -504.025865 (E_RNA) where: Base-Base interactions energy: -160.272 where: short stacking energy: -141.104 Base-Backbone interact. energy: 1.624 local terms energy: -345.378193 where: bonds (distance) C4'-P energy: -101.940 bonds (distance) P-C4' energy: -121.189 flat angles C4'-P-C4' energy: -98.486 flat angles P-C4'-P energy: -50.825 tors. eta vs tors. theta energy: 27.062 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 22 Temperature: 1.350000 Total energy: -488.829502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -488.829502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -488.829502 (E_RNA) where: Base-Base interactions energy: -192.151 where: short stacking energy: -155.153 Base-Backbone interact. energy: -2.040 local terms energy: -294.639155 where: bonds (distance) C4'-P energy: -93.645 bonds (distance) P-C4' energy: -81.977 flat angles C4'-P-C4' energy: -93.827 flat angles P-C4'-P energy: -55.097 tors. eta vs tors. theta energy: 29.906 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: 6 ===================================== Write number: 23 Temperature: 0.900000 Total energy: -1816.367265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1816.367265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1816.367265 (E_RNA) where: Base-Base interactions energy: -1155.319 where: short stacking energy: -524.684 Base-Backbone interact. energy: -2.724 local terms energy: -658.324853 where: bonds (distance) C4'-P energy: -128.344 bonds (distance) P-C4' energy: -140.051 flat angles C4'-P-C4' energy: -138.501 flat angles P-C4'-P energy: -91.232 tors. eta vs tors. theta energy: -160.197 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: 4 ===================================== Write number: 23 Temperature: 0.950000 Total energy: -1548.010763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1548.010763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1548.010763 (E_RNA) where: Base-Base interactions energy: -940.426 where: short stacking energy: -446.097 Base-Backbone interact. energy: -5.260 local terms energy: -603.110318 where: bonds (distance) C4'-P energy: -129.938 bonds (distance) P-C4' energy: -141.044 flat angles C4'-P-C4' energy: -133.566 flat angles P-C4'-P energy: -78.953 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: 0.785 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 23 Temperature: 1.000000 Total energy: -1463.381055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1463.381055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1463.381055 (E_RNA) where: Base-Base interactions energy: -893.006 where: short stacking energy: -414.879 Base-Backbone interact. energy: -1.248 local terms energy: -569.127022 where: bonds (distance) C4'-P energy: -122.230 bonds (distance) P-C4' energy: -133.282 flat angles C4'-P-C4' energy: -126.958 flat angles P-C4'-P energy: -83.302 tors. eta vs tors. theta energy: -103.356 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 23 Temperature: 1.050000 Total energy: -1402.388681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1402.388681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1402.388681 (E_RNA) where: Base-Base interactions energy: -861.120 where: short stacking energy: -412.842 Base-Backbone interact. energy: 0.858 local terms energy: -542.126085 where: bonds (distance) C4'-P energy: -113.560 bonds (distance) P-C4' energy: -125.098 flat angles C4'-P-C4' energy: -121.533 flat angles P-C4'-P energy: -84.548 tors. eta vs tors. theta energy: -97.387 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: 23 Temperature: 1.100000 Total energy: -1190.904331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1190.904331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1190.904331 (E_RNA) where: Base-Base interactions energy: -645.926 where: short stacking energy: -321.713 Base-Backbone interact. energy: 2.572 local terms energy: -547.550531 where: bonds (distance) C4'-P energy: -117.737 bonds (distance) P-C4' energy: -128.858 flat angles C4'-P-C4' energy: -131.968 flat angles P-C4'-P energy: -91.430 tors. eta vs tors. theta energy: -77.558 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: 6, replica: 5 ===================================== Write number: 23 Temperature: 1.150000 Total energy: -1081.185302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1081.185302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1081.185302 (E_RNA) where: Base-Base interactions energy: -613.507 where: short stacking energy: -302.995 Base-Backbone interact. energy: -1.934 local terms energy: -465.743461 where: bonds (distance) C4'-P energy: -107.069 bonds (distance) P-C4' energy: -129.191 flat angles C4'-P-C4' energy: -96.602 flat angles P-C4'-P energy: -63.426 tors. eta vs tors. theta energy: -69.455 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 23 Temperature: 1.200000 Total energy: -965.746384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -965.746384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -965.746384 (E_RNA) where: Base-Base interactions energy: -532.165 where: short stacking energy: -274.005 Base-Backbone interact. energy: -4.011 local terms energy: -429.905522 where: bonds (distance) C4'-P energy: -120.104 bonds (distance) P-C4' energy: -119.818 flat angles C4'-P-C4' energy: -102.749 flat angles P-C4'-P energy: -47.780 tors. eta vs tors. theta energy: -39.455 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.335 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 23 Temperature: 1.250000 Total energy: -738.877850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -738.877850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -738.877850 (E_RNA) where: Base-Base interactions energy: -362.757 where: short stacking energy: -228.323 Base-Backbone interact. energy: 3.195 local terms energy: -379.315439 where: bonds (distance) C4'-P energy: -93.829 bonds (distance) P-C4' energy: -120.467 flat angles C4'-P-C4' energy: -103.092 flat angles P-C4'-P energy: -53.115 tors. eta vs tors. theta energy: -8.812 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: 9 ===================================== Write number: 23 Temperature: 1.300000 Total energy: -558.889940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -558.889940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -558.889940 (E_RNA) where: Base-Base interactions energy: -246.026 where: short stacking energy: -184.814 Base-Backbone interact. energy: 5.572 local terms energy: -318.435716 where: bonds (distance) C4'-P energy: -84.702 bonds (distance) P-C4' energy: -97.751 flat angles C4'-P-C4' energy: -88.479 flat angles P-C4'-P energy: -51.384 tors. eta vs tors. theta energy: 3.881 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 23 Temperature: 1.350000 Total energy: -466.275687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -466.275687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -466.275687 (E_RNA) where: Base-Base interactions energy: -153.137 where: short stacking energy: -125.327 Base-Backbone interact. energy: 2.723 local terms energy: -315.862651 where: bonds (distance) C4'-P energy: -107.262 bonds (distance) P-C4' energy: -104.532 flat angles C4'-P-C4' energy: -84.119 flat angles P-C4'-P energy: -49.548 tors. eta vs tors. theta energy: 29.598 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 24 Temperature: 0.900000 Total energy: -1811.182503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1811.182503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1811.182503 (E_RNA) where: Base-Base interactions energy: -1176.923 where: short stacking energy: -544.525 Base-Backbone interact. energy: -1.236 local terms energy: -633.023571 where: bonds (distance) C4'-P energy: -125.298 bonds (distance) P-C4' energy: -132.462 flat angles C4'-P-C4' energy: -135.566 flat angles P-C4'-P energy: -90.352 tors. eta vs tors. theta energy: -149.345 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 24 Temperature: 0.950000 Total energy: -1547.610161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1547.610161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1547.610161 (E_RNA) where: Base-Base interactions energy: -937.530 where: short stacking energy: -452.625 Base-Backbone interact. energy: -1.297 local terms energy: -608.782742 where: bonds (distance) C4'-P energy: -128.413 bonds (distance) P-C4' energy: -131.941 flat angles C4'-P-C4' energy: -142.780 flat angles P-C4'-P energy: -77.517 tors. eta vs tors. theta energy: -128.132 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 24 Temperature: 1.000000 Total energy: -1525.986106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1525.986106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1525.986106 (E_RNA) where: Base-Base interactions energy: -940.733 where: short stacking energy: -444.996 Base-Backbone interact. energy: -2.937 local terms energy: -582.315977 where: bonds (distance) C4'-P energy: -124.370 bonds (distance) P-C4' energy: -130.275 flat angles C4'-P-C4' energy: -120.204 flat angles P-C4'-P energy: -90.588 tors. eta vs tors. theta energy: -116.878 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 24 Temperature: 1.050000 Total energy: -1452.522143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1452.522143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1452.522143 (E_RNA) where: Base-Base interactions energy: -905.749 where: short stacking energy: -432.280 Base-Backbone interact. energy: -2.472 local terms energy: -544.301789 where: bonds (distance) C4'-P energy: -110.536 bonds (distance) P-C4' energy: -119.362 flat angles C4'-P-C4' energy: -130.276 flat angles P-C4'-P energy: -86.598 tors. eta vs tors. theta energy: -97.530 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 24 Temperature: 1.100000 Total energy: -1222.852695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1222.852695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1222.852695 (E_RNA) where: Base-Base interactions energy: -728.896 where: short stacking energy: -380.206 Base-Backbone interact. energy: -2.622 local terms energy: -491.335233 where: bonds (distance) C4'-P energy: -103.229 bonds (distance) P-C4' energy: -127.116 flat angles C4'-P-C4' energy: -119.429 flat angles P-C4'-P energy: -58.964 tors. eta vs tors. theta energy: -82.597 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 24 Temperature: 1.150000 Total energy: -999.144329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -999.144329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -999.144329 (E_RNA) where: Base-Base interactions energy: -564.605 where: short stacking energy: -252.326 Base-Backbone interact. energy: 0.279 local terms energy: -434.817858 where: bonds (distance) C4'-P energy: -132.741 bonds (distance) P-C4' energy: -116.236 flat angles C4'-P-C4' energy: -87.293 flat angles P-C4'-P energy: -74.514 tors. eta vs tors. theta energy: -24.034 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 24 Temperature: 1.200000 Total energy: -986.308997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -986.308997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -986.308997 (E_RNA) where: Base-Base interactions energy: -550.851 where: short stacking energy: -267.325 Base-Backbone interact. energy: 4.511 local terms energy: -440.128632 where: bonds (distance) C4'-P energy: -123.613 bonds (distance) P-C4' energy: -125.369 flat angles C4'-P-C4' energy: -88.365 flat angles P-C4'-P energy: -65.197 tors. eta vs tors. theta energy: -37.584 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.160 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 24 Temperature: 1.250000 Total energy: -824.678633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -824.678633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -824.678633 (E_RNA) where: Base-Base interactions energy: -399.373 where: short stacking energy: -217.542 Base-Backbone interact. energy: -1.157 local terms energy: -424.149480 where: bonds (distance) C4'-P energy: -115.415 bonds (distance) P-C4' energy: -111.745 flat angles C4'-P-C4' energy: -97.673 flat angles P-C4'-P energy: -75.315 tors. eta vs tors. theta energy: -24.002 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 24 Temperature: 1.300000 Total energy: -574.241547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -574.241547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -574.241547 (E_RNA) where: Base-Base interactions energy: -232.979 where: short stacking energy: -158.948 Base-Backbone interact. energy: -5.735 local terms energy: -335.527738 where: bonds (distance) C4'-P energy: -93.017 bonds (distance) P-C4' energy: -104.450 flat angles C4'-P-C4' energy: -105.070 flat angles P-C4'-P energy: -49.319 tors. eta vs tors. theta energy: 16.328 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: 10, replica: 3 ===================================== Write number: 24 Temperature: 1.350000 Total energy: -481.169199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -481.169199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -481.169199 (E_RNA) where: Base-Base interactions energy: -153.879 where: short stacking energy: -138.839 Base-Backbone interact. energy: 3.508 local terms energy: -330.797684 where: bonds (distance) C4'-P energy: -99.005 bonds (distance) P-C4' energy: -117.147 flat angles C4'-P-C4' energy: -100.897 flat angles P-C4'-P energy: -41.841 tors. eta vs tors. theta energy: 28.093 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 25 Temperature: 0.900000 Total energy: -1816.836189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1816.836189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1816.836189 (E_RNA) where: Base-Base interactions energy: -1153.567 where: short stacking energy: -520.893 Base-Backbone interact. energy: -1.490 local terms energy: -661.779383 where: bonds (distance) C4'-P energy: -135.514 bonds (distance) P-C4' energy: -137.273 flat angles C4'-P-C4' energy: -146.504 flat angles P-C4'-P energy: -87.374 tors. eta vs tors. theta energy: -155.115 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: 2, replica: 2 ===================================== Write number: 25 Temperature: 0.950000 Total energy: -1537.860618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1537.860618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1537.860618 (E_RNA) where: Base-Base interactions energy: -953.511 where: short stacking energy: -441.011 Base-Backbone interact. energy: 0.013 local terms energy: -584.362173 where: bonds (distance) C4'-P energy: -133.036 bonds (distance) P-C4' energy: -117.081 flat angles C4'-P-C4' energy: -144.389 flat angles P-C4'-P energy: -83.227 tors. eta vs tors. theta energy: -106.629 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: 4 ===================================== Write number: 25 Temperature: 1.000000 Total energy: -1473.475479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1473.475479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1473.475479 (E_RNA) where: Base-Base interactions energy: -913.051 where: short stacking energy: -407.896 Base-Backbone interact. energy: -1.501 local terms energy: -558.923220 where: bonds (distance) C4'-P energy: -133.880 bonds (distance) P-C4' energy: -111.702 flat angles C4'-P-C4' energy: -132.003 flat angles P-C4'-P energy: -78.284 tors. eta vs tors. theta energy: -103.054 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 25 Temperature: 1.050000 Total energy: -1534.941062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1534.941062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1534.941062 (E_RNA) where: Base-Base interactions energy: -955.090 where: short stacking energy: -428.793 Base-Backbone interact. energy: 2.607 local terms energy: -582.457873 where: bonds (distance) C4'-P energy: -114.869 bonds (distance) P-C4' energy: -133.007 flat angles C4'-P-C4' energy: -132.441 flat angles P-C4'-P energy: -92.596 tors. eta vs tors. theta energy: -109.545 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 25 Temperature: 1.100000 Total energy: -1215.987377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1215.987377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1215.987377 (E_RNA) where: Base-Base interactions energy: -668.353 where: short stacking energy: -336.363 Base-Backbone interact. energy: -2.895 local terms energy: -544.740216 where: bonds (distance) C4'-P energy: -125.498 bonds (distance) P-C4' energy: -132.949 flat angles C4'-P-C4' energy: -117.102 flat angles P-C4'-P energy: -83.550 tors. eta vs tors. theta energy: -85.642 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 25 Temperature: 1.150000 Total energy: -1061.530487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1061.530487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1061.530487 (E_RNA) where: Base-Base interactions energy: -607.705 where: short stacking energy: -313.079 Base-Backbone interact. energy: -4.242 local terms energy: -449.583754 where: bonds (distance) C4'-P energy: -90.282 bonds (distance) P-C4' energy: -116.245 flat angles C4'-P-C4' energy: -103.938 flat angles P-C4'-P energy: -81.373 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: 7, replica: 10 ===================================== Write number: 25 Temperature: 1.200000 Total energy: -1068.516386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1068.516386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1068.516386 (E_RNA) where: Base-Base interactions energy: -599.068 where: short stacking energy: -282.227 Base-Backbone interact. energy: -2.069 local terms energy: -467.379737 where: bonds (distance) C4'-P energy: -108.796 bonds (distance) P-C4' energy: -115.017 flat angles C4'-P-C4' energy: -119.139 flat angles P-C4'-P energy: -64.535 tors. eta vs tors. theta energy: -59.893 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 25 Temperature: 1.250000 Total energy: -832.654381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -832.654381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -832.654381 (E_RNA) where: Base-Base interactions energy: -401.947 where: short stacking energy: -204.230 Base-Backbone interact. energy: -1.407 local terms energy: -429.299942 where: bonds (distance) C4'-P energy: -131.284 bonds (distance) P-C4' energy: -119.813 flat angles C4'-P-C4' energy: -106.100 flat angles P-C4'-P energy: -63.351 tors. eta vs tors. theta energy: -8.752 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 25 Temperature: 1.300000 Total energy: -553.497979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -553.497979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -553.497979 (E_RNA) where: Base-Base interactions energy: -190.292 where: short stacking energy: -161.491 Base-Backbone interact. energy: 2.579 local terms energy: -365.785439 where: bonds (distance) C4'-P energy: -126.685 bonds (distance) P-C4' energy: -102.762 flat angles C4'-P-C4' energy: -93.745 flat angles P-C4'-P energy: -53.134 tors. eta vs tors. theta energy: 10.541 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: 3 ===================================== Write number: 25 Temperature: 1.350000 Total energy: -500.467806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -500.467806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -500.467806 (E_RNA) where: Base-Base interactions energy: -179.951 where: short stacking energy: -151.095 Base-Backbone interact. energy: -4.956 local terms energy: -315.560943 where: bonds (distance) C4'-P energy: -114.837 bonds (distance) P-C4' energy: -104.411 flat angles C4'-P-C4' energy: -88.354 flat angles P-C4'-P energy: -32.456 tors. eta vs tors. theta energy: 24.498 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 26 Temperature: 0.900000 Total energy: -1857.195645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1857.195645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1857.195645 (E_RNA) where: Base-Base interactions energy: -1183.460 where: short stacking energy: -573.733 Base-Backbone interact. energy: -1.052 local terms energy: -672.682904 where: bonds (distance) C4'-P energy: -116.537 bonds (distance) P-C4' energy: -148.778 flat angles C4'-P-C4' energy: -142.518 flat angles P-C4'-P energy: -107.198 tors. eta vs tors. theta energy: -157.652 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: 2, replica: 2 ===================================== Write number: 26 Temperature: 0.950000 Total energy: -1624.694048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1624.694048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1624.694048 (E_RNA) where: Base-Base interactions energy: -1052.416 where: short stacking energy: -451.507 Base-Backbone interact. energy: -3.653 local terms energy: -568.625367 where: bonds (distance) C4'-P energy: -128.664 bonds (distance) P-C4' energy: -126.683 flat angles C4'-P-C4' energy: -123.585 flat angles P-C4'-P energy: -88.240 tors. eta vs tors. theta energy: -101.453 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 26 Temperature: 1.000000 Total energy: -1614.499492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1614.499492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1614.499492 (E_RNA) where: Base-Base interactions energy: -1030.140 where: short stacking energy: -454.184 Base-Backbone interact. energy: -3.023 local terms energy: -581.336550 where: bonds (distance) C4'-P energy: -124.228 bonds (distance) P-C4' energy: -112.620 flat angles C4'-P-C4' energy: -148.628 flat angles P-C4'-P energy: -84.152 tors. eta vs tors. theta energy: -111.709 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: 4, replica: 4 ===================================== Write number: 26 Temperature: 1.050000 Total energy: -1344.251113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1344.251113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1344.251113 (E_RNA) where: Base-Base interactions energy: -791.499 where: short stacking energy: -360.972 Base-Backbone interact. energy: 5.424 local terms energy: -558.176033 where: bonds (distance) C4'-P energy: -124.566 bonds (distance) P-C4' energy: -131.726 flat angles C4'-P-C4' energy: -136.689 flat angles P-C4'-P energy: -82.815 tors. eta vs tors. theta energy: -82.380 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: 5, replica: 1 ===================================== Write number: 26 Temperature: 1.100000 Total energy: -1242.289447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1242.289447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1242.289447 (E_RNA) where: Base-Base interactions energy: -694.895 where: short stacking energy: -358.015 Base-Backbone interact. energy: -2.357 local terms energy: -545.036817 where: bonds (distance) C4'-P energy: -128.715 bonds (distance) P-C4' energy: -122.912 flat angles C4'-P-C4' energy: -123.360 flat angles P-C4'-P energy: -75.476 tors. eta vs tors. theta energy: -94.573 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 26 Temperature: 1.150000 Total energy: -1107.822033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1107.822033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1107.822033 (E_RNA) where: Base-Base interactions energy: -612.189 where: short stacking energy: -299.322 Base-Backbone interact. energy: 2.299 local terms energy: -497.932100 where: bonds (distance) C4'-P energy: -107.130 bonds (distance) P-C4' energy: -127.596 flat angles C4'-P-C4' energy: -120.729 flat angles P-C4'-P energy: -90.287 tors. eta vs tors. theta energy: -52.190 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 26 Temperature: 1.200000 Total energy: -1047.514907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1047.514907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1047.514907 (E_RNA) where: Base-Base interactions energy: -612.855 where: short stacking energy: -305.031 Base-Backbone interact. energy: -3.533 local terms energy: -431.126730 where: bonds (distance) C4'-P energy: -102.374 bonds (distance) P-C4' energy: -109.339 flat angles C4'-P-C4' energy: -85.277 flat angles P-C4'-P energy: -81.533 tors. eta vs tors. theta energy: -52.604 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: 26 Temperature: 1.250000 Total energy: -865.395737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -865.395737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -865.395737 (E_RNA) where: Base-Base interactions energy: -480.036 where: short stacking energy: -235.421 Base-Backbone interact. energy: 4.567 local terms energy: -389.927235 where: bonds (distance) C4'-P energy: -107.257 bonds (distance) P-C4' energy: -108.203 flat angles C4'-P-C4' energy: -101.412 flat angles P-C4'-P energy: -52.193 tors. eta vs tors. theta energy: -20.863 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: 3 ===================================== Write number: 26 Temperature: 1.300000 Total energy: -543.874835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -543.874835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -543.874835 (E_RNA) where: Base-Base interactions energy: -160.988 where: short stacking energy: -125.790 Base-Backbone interact. energy: 2.502 local terms energy: -385.389038 where: bonds (distance) C4'-P energy: -131.312 bonds (distance) P-C4' energy: -130.677 flat angles C4'-P-C4' energy: -98.135 flat angles P-C4'-P energy: -58.259 tors. eta vs tors. theta energy: 32.994 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 26 Temperature: 1.350000 Total energy: -510.217193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -510.217193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -510.217193 (E_RNA) where: Base-Base interactions energy: -192.302 where: short stacking energy: -142.135 Base-Backbone interact. energy: 1.984 local terms energy: -319.899113 where: bonds (distance) C4'-P energy: -93.463 bonds (distance) P-C4' energy: -109.535 flat angles C4'-P-C4' energy: -99.678 flat angles P-C4'-P energy: -43.173 tors. eta vs tors. theta energy: 25.949 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 27 Temperature: 0.900000 Total energy: -1839.063565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1839.063565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1839.063565 (E_RNA) where: Base-Base interactions energy: -1170.228 where: short stacking energy: -558.164 Base-Backbone interact. energy: -0.777 local terms energy: -668.057853 where: bonds (distance) C4'-P energy: -136.998 bonds (distance) P-C4' energy: -140.439 flat angles C4'-P-C4' energy: -130.968 flat angles P-C4'-P energy: -96.152 tors. eta vs tors. theta energy: -163.500 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: 8 ===================================== Write number: 27 Temperature: 0.950000 Total energy: -1689.474673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1689.474673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1689.474673 (E_RNA) where: Base-Base interactions energy: -1102.757 where: short stacking energy: -492.289 Base-Backbone interact. energy: 5.235 local terms energy: -591.952978 where: bonds (distance) C4'-P energy: -113.328 bonds (distance) P-C4' energy: -128.578 flat angles C4'-P-C4' energy: -144.067 flat angles P-C4'-P energy: -87.121 tors. eta vs tors. theta energy: -118.859 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 27 Temperature: 1.000000 Total energy: -1557.883197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1557.883197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1557.883197 (E_RNA) where: Base-Base interactions energy: -987.840 where: short stacking energy: -444.368 Base-Backbone interact. energy: -2.462 local terms energy: -567.580741 where: bonds (distance) C4'-P energy: -126.430 bonds (distance) P-C4' energy: -132.058 flat angles C4'-P-C4' energy: -124.570 flat angles P-C4'-P energy: -74.564 tors. eta vs tors. theta energy: -109.958 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: 4, replica: 4 ===================================== Write number: 27 Temperature: 1.050000 Total energy: -1331.846520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1331.846520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1331.846520 (E_RNA) where: Base-Base interactions energy: -795.503 where: short stacking energy: -378.671 Base-Backbone interact. energy: -2.223 local terms energy: -534.120446 where: bonds (distance) C4'-P energy: -123.744 bonds (distance) P-C4' energy: -130.511 flat angles C4'-P-C4' energy: -112.531 flat angles P-C4'-P energy: -78.960 tors. eta vs tors. theta energy: -88.375 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 27 Temperature: 1.100000 Total energy: -1185.997544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1185.997544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1185.997544 (E_RNA) where: Base-Base interactions energy: -648.780 where: short stacking energy: -325.387 Base-Backbone interact. energy: -3.194 local terms energy: -534.023073 where: bonds (distance) C4'-P energy: -142.741 bonds (distance) P-C4' energy: -128.913 flat angles C4'-P-C4' energy: -119.562 flat angles P-C4'-P energy: -79.592 tors. eta vs tors. theta energy: -63.215 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 27 Temperature: 1.150000 Total energy: -1109.020732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1109.020732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1109.020732 (E_RNA) where: Base-Base interactions energy: -630.482 where: short stacking energy: -340.794 Base-Backbone interact. energy: -3.498 local terms energy: -475.040445 where: bonds (distance) C4'-P energy: -111.194 bonds (distance) P-C4' energy: -126.189 flat angles C4'-P-C4' energy: -119.807 flat angles P-C4'-P energy: -55.984 tors. eta vs tors. theta energy: -61.866 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 27 Temperature: 1.200000 Total energy: -985.310980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -985.310980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -985.310980 (E_RNA) where: Base-Base interactions energy: -524.472 where: short stacking energy: -269.674 Base-Backbone interact. energy: 1.098 local terms energy: -461.936700 where: bonds (distance) C4'-P energy: -119.167 bonds (distance) P-C4' energy: -127.057 flat angles C4'-P-C4' energy: -105.741 flat angles P-C4'-P energy: -67.634 tors. eta vs tors. theta energy: -42.337 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: 8, replica: 7 ===================================== Write number: 27 Temperature: 1.250000 Total energy: -872.497817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -872.497817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -872.497817 (E_RNA) where: Base-Base interactions energy: -422.123 where: short stacking energy: -204.221 Base-Backbone interact. energy: -1.179 local terms energy: -449.196186 where: bonds (distance) C4'-P energy: -122.066 bonds (distance) P-C4' energy: -130.908 flat angles C4'-P-C4' energy: -109.064 flat angles P-C4'-P energy: -70.096 tors. eta vs tors. theta energy: -17.062 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 27 Temperature: 1.300000 Total energy: -569.136192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -569.136192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -569.136192 (E_RNA) where: Base-Base interactions energy: -214.712 where: short stacking energy: -155.806 Base-Backbone interact. energy: 2.756 local terms energy: -357.180544 where: bonds (distance) C4'-P energy: -120.882 bonds (distance) P-C4' energy: -111.711 flat angles C4'-P-C4' energy: -83.159 flat angles P-C4'-P energy: -47.663 tors. eta vs tors. theta energy: 6.234 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: 9 ===================================== Write number: 27 Temperature: 1.350000 Total energy: -516.582862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -516.582862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -516.582862 (E_RNA) where: Base-Base interactions energy: -181.933 where: short stacking energy: -133.502 Base-Backbone interact. energy: -0.894 local terms energy: -333.756656 where: bonds (distance) C4'-P energy: -103.866 bonds (distance) P-C4' energy: -104.981 flat angles C4'-P-C4' energy: -79.170 flat angles P-C4'-P energy: -65.773 tors. eta vs tors. theta energy: 20.033 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 28 Temperature: 0.900000 Total energy: -1844.962237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1844.962237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1844.962237 (E_RNA) where: Base-Base interactions energy: -1177.815 where: short stacking energy: -567.896 Base-Backbone interact. energy: -3.748 local terms energy: -663.398815 where: bonds (distance) C4'-P energy: -131.951 bonds (distance) P-C4' energy: -131.193 flat angles C4'-P-C4' energy: -141.096 flat angles P-C4'-P energy: -103.000 tors. eta vs tors. theta energy: -156.159 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 28 Temperature: 0.950000 Total energy: -1685.020353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1685.020353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1685.020353 (E_RNA) where: Base-Base interactions energy: -1090.582 where: short stacking energy: -451.215 Base-Backbone interact. energy: 2.484 local terms energy: -596.922335 where: bonds (distance) C4'-P energy: -132.060 bonds (distance) P-C4' energy: -131.959 flat angles C4'-P-C4' energy: -133.005 flat angles P-C4'-P energy: -87.860 tors. eta vs tors. theta energy: -112.037 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: 2 ===================================== Write number: 28 Temperature: 1.000000 Total energy: -1497.342463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1497.342463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1497.342463 (E_RNA) where: Base-Base interactions energy: -906.255 where: short stacking energy: -432.813 Base-Backbone interact. energy: -0.955 local terms energy: -590.133044 where: bonds (distance) C4'-P energy: -124.810 bonds (distance) P-C4' energy: -137.320 flat angles C4'-P-C4' energy: -133.251 flat angles P-C4'-P energy: -88.974 tors. eta vs tors. theta energy: -105.778 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 28 Temperature: 1.050000 Total energy: -1412.374082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1412.374082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1412.374082 (E_RNA) where: Base-Base interactions energy: -844.270 where: short stacking energy: -381.327 Base-Backbone interact. energy: 0.349 local terms energy: -568.452268 where: bonds (distance) C4'-P energy: -114.519 bonds (distance) P-C4' energy: -125.080 flat angles C4'-P-C4' energy: -141.881 flat angles P-C4'-P energy: -74.968 tors. eta vs tors. theta energy: -112.004 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 28 Temperature: 1.100000 Total energy: -1168.582033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1168.582033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1168.582033 (E_RNA) where: Base-Base interactions energy: -675.942 where: short stacking energy: -357.448 Base-Backbone interact. energy: -3.354 local terms energy: -489.285964 where: bonds (distance) C4'-P energy: -113.177 bonds (distance) P-C4' energy: -116.486 flat angles C4'-P-C4' energy: -116.603 flat angles P-C4'-P energy: -70.818 tors. eta vs tors. theta energy: -72.203 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 28 Temperature: 1.150000 Total energy: -1151.720252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1151.720252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1151.720252 (E_RNA) where: Base-Base interactions energy: -680.853 where: short stacking energy: -330.228 Base-Backbone interact. energy: 5.774 local terms energy: -476.641171 where: bonds (distance) C4'-P energy: -110.737 bonds (distance) P-C4' energy: -116.398 flat angles C4'-P-C4' energy: -124.527 flat angles P-C4'-P energy: -75.882 tors. eta vs tors. theta energy: -49.097 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 28 Temperature: 1.200000 Total energy: -990.890391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -990.890391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -990.890391 (E_RNA) where: Base-Base interactions energy: -534.095 where: short stacking energy: -245.486 Base-Backbone interact. energy: -3.044 local terms energy: -453.751321 where: bonds (distance) C4'-P energy: -120.119 bonds (distance) P-C4' energy: -118.892 flat angles C4'-P-C4' energy: -103.572 flat angles P-C4'-P energy: -58.201 tors. eta vs tors. theta energy: -52.967 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 28 Temperature: 1.250000 Total energy: -903.952880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -903.952880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -903.952880 (E_RNA) where: Base-Base interactions energy: -481.109 where: short stacking energy: -256.891 Base-Backbone interact. energy: -0.204 local terms energy: -422.639354 where: bonds (distance) C4'-P energy: -118.365 bonds (distance) P-C4' energy: -128.137 flat angles C4'-P-C4' energy: -117.837 flat angles P-C4'-P energy: -24.123 tors. eta vs tors. theta energy: -34.176 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 28 Temperature: 1.300000 Total energy: -579.144341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -579.144341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -579.144341 (E_RNA) where: Base-Base interactions energy: -225.365 where: short stacking energy: -150.718 Base-Backbone interact. energy: -0.912 local terms energy: -352.867549 where: bonds (distance) C4'-P energy: -90.321 bonds (distance) P-C4' energy: -130.304 flat angles C4'-P-C4' energy: -90.996 flat angles P-C4'-P energy: -50.777 tors. eta vs tors. theta energy: 9.530 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 28 Temperature: 1.350000 Total energy: -481.573863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -481.573863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -481.573863 (E_RNA) where: Base-Base interactions energy: -143.862 where: short stacking energy: -95.409 Base-Backbone interact. energy: 0.305 local terms energy: -338.016737 where: bonds (distance) C4'-P energy: -102.908 bonds (distance) P-C4' energy: -115.258 flat angles C4'-P-C4' energy: -107.444 flat angles P-C4'-P energy: -49.622 tors. eta vs tors. theta energy: 37.214 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 29 Temperature: 0.900000 Total energy: -1850.922730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1850.922730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1850.922730 (E_RNA) where: Base-Base interactions energy: -1192.503 where: short stacking energy: -552.710 Base-Backbone interact. energy: -4.936 local terms energy: -653.483664 where: bonds (distance) C4'-P energy: -126.982 bonds (distance) P-C4' energy: -140.770 flat angles C4'-P-C4' energy: -146.228 flat angles P-C4'-P energy: -96.315 tors. eta vs tors. theta energy: -143.188 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: 8 ===================================== Write number: 29 Temperature: 0.950000 Total energy: -1736.586093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1736.586093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1736.586093 (E_RNA) where: Base-Base interactions energy: -1130.399 where: short stacking energy: -497.465 Base-Backbone interact. energy: 0.127 local terms energy: -606.313947 where: bonds (distance) C4'-P energy: -118.486 bonds (distance) P-C4' energy: -131.353 flat angles C4'-P-C4' energy: -140.262 flat angles P-C4'-P energy: -93.597 tors. eta vs tors. theta energy: -122.615 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 29 Temperature: 1.000000 Total energy: -1494.907347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1494.907347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1494.907347 (E_RNA) where: Base-Base interactions energy: -923.884 where: short stacking energy: -409.797 Base-Backbone interact. energy: -3.070 local terms energy: -567.953367 where: bonds (distance) C4'-P energy: -136.191 bonds (distance) P-C4' energy: -123.274 flat angles C4'-P-C4' energy: -138.298 flat angles P-C4'-P energy: -70.428 tors. eta vs tors. theta energy: -99.763 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 29 Temperature: 1.050000 Total energy: -1415.558401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1415.558401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1415.558401 (E_RNA) where: Base-Base interactions energy: -845.457 where: short stacking energy: -424.663 Base-Backbone interact. energy: -0.317 local terms energy: -569.784052 where: bonds (distance) C4'-P energy: -115.815 bonds (distance) P-C4' energy: -140.424 flat angles C4'-P-C4' energy: -126.332 flat angles P-C4'-P energy: -77.796 tors. eta vs tors. theta energy: -109.417 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 29 Temperature: 1.100000 Total energy: -1293.200132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1293.200132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1293.200132 (E_RNA) where: Base-Base interactions energy: -761.495 where: short stacking energy: -382.197 Base-Backbone interact. energy: -3.480 local terms energy: -528.224475 where: bonds (distance) C4'-P energy: -113.093 bonds (distance) P-C4' energy: -131.255 flat angles C4'-P-C4' energy: -118.536 flat angles P-C4'-P energy: -74.769 tors. eta vs tors. theta energy: -90.572 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: 1 ===================================== Write number: 29 Temperature: 1.150000 Total energy: -1096.408172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1096.408172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1096.408172 (E_RNA) where: Base-Base interactions energy: -635.116 where: short stacking energy: -285.069 Base-Backbone interact. energy: -2.623 local terms energy: -458.669660 where: bonds (distance) C4'-P energy: -107.648 bonds (distance) P-C4' energy: -118.015 flat angles C4'-P-C4' energy: -126.771 flat angles P-C4'-P energy: -65.351 tors. eta vs tors. theta energy: -40.885 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 29 Temperature: 1.200000 Total energy: -1038.895258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1038.895258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1038.895258 (E_RNA) where: Base-Base interactions energy: -636.184 where: short stacking energy: -290.959 Base-Backbone interact. energy: -3.609 local terms energy: -399.102068 where: bonds (distance) C4'-P energy: -105.230 bonds (distance) P-C4' energy: -111.890 flat angles C4'-P-C4' energy: -85.906 flat angles P-C4'-P energy: -60.243 tors. eta vs tors. theta energy: -35.833 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: 7 ===================================== Write number: 29 Temperature: 1.250000 Total energy: -963.623049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -963.623049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -963.623049 (E_RNA) where: Base-Base interactions energy: -515.365 where: short stacking energy: -242.155 Base-Backbone interact. energy: 8.826 local terms energy: -457.084024 where: bonds (distance) C4'-P energy: -109.818 bonds (distance) P-C4' energy: -128.132 flat angles C4'-P-C4' energy: -115.130 flat angles P-C4'-P energy: -63.752 tors. eta vs tors. theta energy: -40.252 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: 9 ===================================== Write number: 29 Temperature: 1.300000 Total energy: -597.933601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -597.933601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -597.933601 (E_RNA) where: Base-Base interactions energy: -216.404 where: short stacking energy: -140.571 Base-Backbone interact. energy: 5.622 local terms energy: -387.150830 where: bonds (distance) C4'-P energy: -108.528 bonds (distance) P-C4' energy: -125.996 flat angles C4'-P-C4' energy: -104.675 flat angles P-C4'-P energy: -66.685 tors. eta vs tors. theta energy: 18.734 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 29 Temperature: 1.350000 Total energy: -499.195520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -499.195520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -499.195520 (E_RNA) where: Base-Base interactions energy: -196.362 where: short stacking energy: -110.704 Base-Backbone interact. energy: 2.278 local terms energy: -305.111932 where: bonds (distance) C4'-P energy: -93.679 bonds (distance) P-C4' energy: -118.955 flat angles C4'-P-C4' energy: -91.617 flat angles P-C4'-P energy: -46.279 tors. eta vs tors. theta energy: 45.419 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: 6 ===================================== Write number: 30 Temperature: 0.900000 Total energy: -1863.163444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1863.163444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1863.163444 (E_RNA) where: Base-Base interactions energy: -1217.454 where: short stacking energy: -549.960 Base-Backbone interact. energy: 1.220 local terms energy: -646.928707 where: bonds (distance) C4'-P energy: -144.583 bonds (distance) P-C4' energy: -138.187 flat angles C4'-P-C4' energy: -130.293 flat angles P-C4'-P energy: -86.648 tors. eta vs tors. theta energy: -147.217 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: 8 ===================================== Write number: 30 Temperature: 0.950000 Total energy: -1762.406422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1762.406422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1762.406422 (E_RNA) where: Base-Base interactions energy: -1147.828 where: short stacking energy: -501.187 Base-Backbone interact. energy: -3.093 local terms energy: -611.486011 where: bonds (distance) C4'-P energy: -108.488 bonds (distance) P-C4' energy: -134.224 flat angles C4'-P-C4' energy: -137.458 flat angles P-C4'-P energy: -90.866 tors. eta vs tors. theta energy: -140.450 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: 2 ===================================== Write number: 30 Temperature: 1.000000 Total energy: -1570.103093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1570.103093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1570.103093 (E_RNA) where: Base-Base interactions energy: -992.094 where: short stacking energy: -429.889 Base-Backbone interact. energy: -2.507 local terms energy: -575.502848 where: bonds (distance) C4'-P energy: -132.670 bonds (distance) P-C4' energy: -129.197 flat angles C4'-P-C4' energy: -129.112 flat angles P-C4'-P energy: -77.991 tors. eta vs tors. theta energy: -106.533 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 30 Temperature: 1.050000 Total energy: -1427.194984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1427.194984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1427.194984 (E_RNA) where: Base-Base interactions energy: -855.860 where: short stacking energy: -440.633 Base-Backbone interact. energy: -5.326 local terms energy: -566.008590 where: bonds (distance) C4'-P energy: -122.960 bonds (distance) P-C4' energy: -126.223 flat angles C4'-P-C4' energy: -121.422 flat angles P-C4'-P energy: -76.668 tors. eta vs tors. theta energy: -118.735 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 30 Temperature: 1.100000 Total energy: -1269.994427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1269.994427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1269.994427 (E_RNA) where: Base-Base interactions energy: -771.661 where: short stacking energy: -355.059 Base-Backbone interact. energy: 1.297 local terms energy: -499.630849 where: bonds (distance) C4'-P energy: -120.475 bonds (distance) P-C4' energy: -105.620 flat angles C4'-P-C4' energy: -120.111 flat angles P-C4'-P energy: -76.976 tors. eta vs tors. theta energy: -76.449 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: 1 ===================================== Write number: 30 Temperature: 1.150000 Total energy: -1074.605714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1074.605714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1074.605714 (E_RNA) where: Base-Base interactions energy: -592.019 where: short stacking energy: -300.279 Base-Backbone interact. energy: -3.205 local terms energy: -479.381854 where: bonds (distance) C4'-P energy: -118.339 bonds (distance) P-C4' energy: -116.955 flat angles C4'-P-C4' energy: -115.317 flat angles P-C4'-P energy: -67.593 tors. eta vs tors. theta energy: -61.177 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 30 Temperature: 1.200000 Total energy: -1077.379035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1077.379035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1077.379035 (E_RNA) where: Base-Base interactions energy: -607.387 where: short stacking energy: -284.741 Base-Backbone interact. energy: 0.594 local terms energy: -470.586273 where: bonds (distance) C4'-P energy: -102.623 bonds (distance) P-C4' energy: -120.268 flat angles C4'-P-C4' energy: -126.797 flat angles P-C4'-P energy: -69.820 tors. eta vs tors. theta energy: -51.078 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 30 Temperature: 1.250000 Total energy: -974.016228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -974.016228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -974.016228 (E_RNA) where: Base-Base interactions energy: -532.376 where: short stacking energy: -263.242 Base-Backbone interact. energy: 0.697 local terms energy: -442.337207 where: bonds (distance) C4'-P energy: -105.662 bonds (distance) P-C4' energy: -126.458 flat angles C4'-P-C4' energy: -108.987 flat angles P-C4'-P energy: -77.489 tors. eta vs tors. theta energy: -23.741 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: 9, replica: 3 ===================================== Write number: 30 Temperature: 1.300000 Total energy: -508.817588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -508.817588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -508.817588 (E_RNA) where: Base-Base interactions energy: -169.461 where: short stacking energy: -137.892 Base-Backbone interact. energy: -0.438 local terms energy: -338.918626 where: bonds (distance) C4'-P energy: -99.498 bonds (distance) P-C4' energy: -100.833 flat angles C4'-P-C4' energy: -99.156 flat angles P-C4'-P energy: -67.469 tors. eta vs tors. theta energy: 28.038 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 30 Temperature: 1.350000 Total energy: -526.415333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -526.415333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.415333 (E_RNA) where: Base-Base interactions energy: -169.383 where: short stacking energy: -131.551 Base-Backbone interact. energy: 1.453 local terms energy: -358.485669 where: bonds (distance) C4'-P energy: -110.808 bonds (distance) P-C4' energy: -118.922 flat angles C4'-P-C4' energy: -98.550 flat angles P-C4'-P energy: -40.288 tors. eta vs tors. theta energy: 10.083 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: 6 ===================================== Write number: 31 Temperature: 0.900000 Total energy: -1869.181497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1869.181497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1869.181497 (E_RNA) where: Base-Base interactions energy: -1198.265 where: short stacking energy: -558.055 Base-Backbone interact. energy: -4.601 local terms energy: -666.315248 where: bonds (distance) C4'-P energy: -130.904 bonds (distance) P-C4' energy: -131.213 flat angles C4'-P-C4' energy: -144.937 flat angles P-C4'-P energy: -99.369 tors. eta vs tors. theta energy: -159.892 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: 8 ===================================== Write number: 31 Temperature: 0.950000 Total energy: -1790.025151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1790.025151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1790.025151 (E_RNA) where: Base-Base interactions energy: -1145.332 where: short stacking energy: -486.335 Base-Backbone interact. energy: 3.576 local terms energy: -648.269089 where: bonds (distance) C4'-P energy: -126.203 bonds (distance) P-C4' energy: -146.169 flat angles C4'-P-C4' energy: -151.461 flat angles P-C4'-P energy: -83.526 tors. eta vs tors. theta energy: -140.910 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: 2 ===================================== Write number: 31 Temperature: 1.000000 Total energy: -1513.345232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1513.345232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1513.345232 (E_RNA) where: Base-Base interactions energy: -972.284 where: short stacking energy: -399.700 Base-Backbone interact. energy: -1.646 local terms energy: -539.415531 where: bonds (distance) C4'-P energy: -115.477 bonds (distance) P-C4' energy: -116.264 flat angles C4'-P-C4' energy: -130.369 flat angles P-C4'-P energy: -69.126 tors. eta vs tors. theta energy: -108.180 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: 4 ===================================== Write number: 31 Temperature: 1.050000 Total energy: -1378.334005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1378.334005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1378.334005 (E_RNA) where: Base-Base interactions energy: -849.998 where: short stacking energy: -429.768 Base-Backbone interact. energy: -4.214 local terms energy: -524.121704 where: bonds (distance) C4'-P energy: -123.366 bonds (distance) P-C4' energy: -112.108 flat angles C4'-P-C4' energy: -108.813 flat angles P-C4'-P energy: -67.545 tors. eta vs tors. theta energy: -112.290 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 31 Temperature: 1.100000 Total energy: -1268.498843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1268.498843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1268.498843 (E_RNA) where: Base-Base interactions energy: -771.276 where: short stacking energy: -371.276 Base-Backbone interact. energy: 1.434 local terms energy: -498.656694 where: bonds (distance) C4'-P energy: -109.013 bonds (distance) P-C4' energy: -121.810 flat angles C4'-P-C4' energy: -106.471 flat angles P-C4'-P energy: -61.416 tors. eta vs tors. theta energy: -99.946 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: 1 ===================================== Write number: 31 Temperature: 1.150000 Total energy: -1065.732784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1065.732784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1065.732784 (E_RNA) where: Base-Base interactions energy: -581.323 where: short stacking energy: -297.732 Base-Backbone interact. energy: -1.373 local terms energy: -483.036624 where: bonds (distance) C4'-P energy: -116.816 bonds (distance) P-C4' energy: -128.442 flat angles C4'-P-C4' energy: -117.418 flat angles P-C4'-P energy: -51.989 tors. eta vs tors. theta energy: -68.371 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 31 Temperature: 1.200000 Total energy: -1145.364744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1145.364744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1145.364744 (E_RNA) where: Base-Base interactions energy: -700.628 where: short stacking energy: -318.562 Base-Backbone interact. energy: -0.628 local terms energy: -444.109291 where: bonds (distance) C4'-P energy: -106.599 bonds (distance) P-C4' energy: -115.696 flat angles C4'-P-C4' energy: -104.987 flat angles P-C4'-P energy: -52.283 tors. eta vs tors. theta energy: -64.544 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 31 Temperature: 1.250000 Total energy: -997.372641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -997.372641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -997.372641 (E_RNA) where: Base-Base interactions energy: -550.943 where: short stacking energy: -256.948 Base-Backbone interact. energy: 1.037 local terms energy: -447.466411 where: bonds (distance) C4'-P energy: -104.786 bonds (distance) P-C4' energy: -123.764 flat angles C4'-P-C4' energy: -114.010 flat angles P-C4'-P energy: -57.652 tors. eta vs tors. theta energy: -47.254 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 31 Temperature: 1.300000 Total energy: -521.218940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -521.218940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -521.218940 (E_RNA) where: Base-Base interactions energy: -183.701 where: short stacking energy: -141.308 Base-Backbone interact. energy: 0.953 local terms energy: -338.471582 where: bonds (distance) C4'-P energy: -90.891 bonds (distance) P-C4' energy: -113.617 flat angles C4'-P-C4' energy: -100.242 flat angles P-C4'-P energy: -57.707 tors. eta vs tors. theta energy: 23.985 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: 9 ===================================== Write number: 31 Temperature: 1.350000 Total energy: -487.639796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -487.639796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -487.639796 (E_RNA) where: Base-Base interactions energy: -167.197 where: short stacking energy: -124.792 Base-Backbone interact. energy: 0.662 local terms energy: -321.104587 where: bonds (distance) C4'-P energy: -105.316 bonds (distance) P-C4' energy: -108.186 flat angles C4'-P-C4' energy: -97.462 flat angles P-C4'-P energy: -34.440 tors. eta vs tors. theta energy: 24.300 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 32 Temperature: 0.900000 Total energy: -1880.060506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1880.060506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1880.060506 (E_RNA) where: Base-Base interactions energy: -1219.656 where: short stacking energy: -530.973 Base-Backbone interact. energy: -2.224 local terms energy: -658.180394 where: bonds (distance) C4'-P energy: -142.304 bonds (distance) P-C4' energy: -130.639 flat angles C4'-P-C4' energy: -146.978 flat angles P-C4'-P energy: -78.466 tors. eta vs tors. theta energy: -159.793 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: 2, replica: 8 ===================================== Write number: 32 Temperature: 0.950000 Total energy: -1819.274923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1819.274923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1819.274923 (E_RNA) where: Base-Base interactions energy: -1188.449 where: short stacking energy: -500.109 Base-Backbone interact. energy: -2.936 local terms energy: -627.890535 where: bonds (distance) C4'-P energy: -116.526 bonds (distance) P-C4' energy: -125.410 flat angles C4'-P-C4' energy: -146.844 flat angles P-C4'-P energy: -92.661 tors. eta vs tors. theta energy: -146.449 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 32 Temperature: 1.000000 Total energy: -1548.308966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1548.308966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1548.308966 (E_RNA) where: Base-Base interactions energy: -990.834 where: short stacking energy: -454.821 Base-Backbone interact. energy: 5.167 local terms energy: -562.642377 where: bonds (distance) C4'-P energy: -117.635 bonds (distance) P-C4' energy: -123.175 flat angles C4'-P-C4' energy: -128.732 flat angles P-C4'-P energy: -79.671 tors. eta vs tors. theta energy: -113.429 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 32 Temperature: 1.050000 Total energy: -1419.381293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1419.381293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1419.381293 (E_RNA) where: Base-Base interactions energy: -835.067 where: short stacking energy: -392.640 Base-Backbone interact. energy: -0.166 local terms energy: -584.147738 where: bonds (distance) C4'-P energy: -129.095 bonds (distance) P-C4' energy: -130.489 flat angles C4'-P-C4' energy: -114.618 flat angles P-C4'-P energy: -102.486 tors. eta vs tors. theta energy: -107.460 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: 5 ===================================== Write number: 32 Temperature: 1.100000 Total energy: -1289.506526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1289.506526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1289.506526 (E_RNA) where: Base-Base interactions energy: -755.887 where: short stacking energy: -374.783 Base-Backbone interact. energy: -2.957 local terms energy: -530.662888 where: bonds (distance) C4'-P energy: -124.906 bonds (distance) P-C4' energy: -120.908 flat angles C4'-P-C4' energy: -137.185 flat angles P-C4'-P energy: -78.705 tors. eta vs tors. theta energy: -68.959 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: 1 ===================================== Write number: 32 Temperature: 1.150000 Total energy: -1194.363584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1194.363584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1194.363584 (E_RNA) where: Base-Base interactions energy: -720.598 where: short stacking energy: -343.606 Base-Backbone interact. energy: -0.911 local terms energy: -472.854530 where: bonds (distance) C4'-P energy: -96.540 bonds (distance) P-C4' energy: -100.807 flat angles C4'-P-C4' energy: -122.716 flat angles P-C4'-P energy: -81.916 tors. eta vs tors. theta energy: -70.875 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: 7, replica: 10 ===================================== Write number: 32 Temperature: 1.200000 Total energy: -1114.805889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1114.805889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1114.805889 (E_RNA) where: Base-Base interactions energy: -647.959 where: short stacking energy: -300.755 Base-Backbone interact. energy: -2.588 local terms energy: -464.560538 where: bonds (distance) C4'-P energy: -118.165 bonds (distance) P-C4' energy: -115.242 flat angles C4'-P-C4' energy: -117.110 flat angles P-C4'-P energy: -58.586 tors. eta vs tors. theta energy: -55.457 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.302 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 32 Temperature: 1.250000 Total energy: -898.040338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -898.040338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -898.040338 (E_RNA) where: Base-Base interactions energy: -484.056 where: short stacking energy: -257.433 Base-Backbone interact. energy: 5.896 local terms energy: -419.881011 where: bonds (distance) C4'-P energy: -101.755 bonds (distance) P-C4' energy: -118.158 flat angles C4'-P-C4' energy: -106.878 flat angles P-C4'-P energy: -57.247 tors. eta vs tors. theta energy: -35.843 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: 9, replica: 3 ===================================== Write number: 32 Temperature: 1.300000 Total energy: -557.344128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -557.344128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -557.344128 (E_RNA) where: Base-Base interactions energy: -203.392 where: short stacking energy: -153.305 Base-Backbone interact. energy: 1.760 local terms energy: -355.711568 where: bonds (distance) C4'-P energy: -123.052 bonds (distance) P-C4' energy: -105.226 flat angles C4'-P-C4' energy: -84.703 flat angles P-C4'-P energy: -59.235 tors. eta vs tors. theta energy: 16.505 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 32 Temperature: 1.350000 Total energy: -475.861592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -475.861592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -475.861592 (E_RNA) where: Base-Base interactions energy: -170.785 where: short stacking energy: -142.102 Base-Backbone interact. energy: 11.109 local terms energy: -316.186172 where: bonds (distance) C4'-P energy: -104.296 bonds (distance) P-C4' energy: -103.483 flat angles C4'-P-C4' energy: -83.972 flat angles P-C4'-P energy: -47.801 tors. eta vs tors. theta energy: 23.366 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 33 Temperature: 0.900000 Total energy: -1864.331316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1864.331316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1864.331316 (E_RNA) where: Base-Base interactions energy: -1193.485 where: short stacking energy: -522.345 Base-Backbone interact. energy: -3.416 local terms energy: -667.430792 where: bonds (distance) C4'-P energy: -137.029 bonds (distance) P-C4' energy: -139.999 flat angles C4'-P-C4' energy: -151.743 flat angles P-C4'-P energy: -107.333 tors. eta vs tors. theta energy: -131.326 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 33 Temperature: 0.950000 Total energy: -1813.303904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1813.303904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1813.303904 (E_RNA) where: Base-Base interactions energy: -1191.807 where: short stacking energy: -507.289 Base-Backbone interact. energy: -0.230 local terms energy: -621.267225 where: bonds (distance) C4'-P energy: -132.194 bonds (distance) P-C4' energy: -125.294 flat angles C4'-P-C4' energy: -124.213 flat angles P-C4'-P energy: -87.751 tors. eta vs tors. theta energy: -151.815 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: 2 ===================================== Write number: 33 Temperature: 1.000000 Total energy: -1537.555696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1537.555696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1537.555696 (E_RNA) where: Base-Base interactions energy: -953.865 where: short stacking energy: -420.456 Base-Backbone interact. energy: 3.383 local terms energy: -587.074147 where: bonds (distance) C4'-P energy: -112.150 bonds (distance) P-C4' energy: -132.192 flat angles C4'-P-C4' energy: -137.216 flat angles P-C4'-P energy: -98.004 tors. eta vs tors. theta energy: -107.513 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 33 Temperature: 1.050000 Total energy: -1394.137552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1394.137552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1394.137552 (E_RNA) where: Base-Base interactions energy: -842.710 where: short stacking energy: -398.484 Base-Backbone interact. energy: -4.386 local terms energy: -547.041342 where: bonds (distance) C4'-P energy: -108.852 bonds (distance) P-C4' energy: -131.855 flat angles C4'-P-C4' energy: -129.754 flat angles P-C4'-P energy: -88.235 tors. eta vs tors. theta energy: -88.345 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: 5 ===================================== Write number: 33 Temperature: 1.100000 Total energy: -1306.527726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1306.527726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1306.527726 (E_RNA) where: Base-Base interactions energy: -799.066 where: short stacking energy: -382.902 Base-Backbone interact. energy: 0.158 local terms energy: -507.619350 where: bonds (distance) C4'-P energy: -112.466 bonds (distance) P-C4' energy: -115.008 flat angles C4'-P-C4' energy: -108.216 flat angles P-C4'-P energy: -88.289 tors. eta vs tors. theta energy: -83.639 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 33 Temperature: 1.150000 Total energy: -1207.250461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1207.250461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1207.250461 (E_RNA) where: Base-Base interactions energy: -686.338 where: short stacking energy: -324.001 Base-Backbone interact. energy: 3.399 local terms energy: -524.311657 where: bonds (distance) C4'-P energy: -133.659 bonds (distance) P-C4' energy: -122.988 flat angles C4'-P-C4' energy: -109.899 flat angles P-C4'-P energy: -76.807 tors. eta vs tors. theta energy: -80.959 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 33 Temperature: 1.200000 Total energy: -1097.421468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1097.421468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1097.421468 (E_RNA) where: Base-Base interactions energy: -628.498 where: short stacking energy: -279.853 Base-Backbone interact. energy: -2.351 local terms energy: -466.573076 where: bonds (distance) C4'-P energy: -113.384 bonds (distance) P-C4' energy: -117.736 flat angles C4'-P-C4' energy: -106.821 flat angles P-C4'-P energy: -66.804 tors. eta vs tors. theta energy: -61.829 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 33 Temperature: 1.250000 Total energy: -931.054929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -931.054929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -931.054929 (E_RNA) where: Base-Base interactions energy: -512.951 where: short stacking energy: -239.185 Base-Backbone interact. energy: 7.746 local terms energy: -425.849586 where: bonds (distance) C4'-P energy: -117.884 bonds (distance) P-C4' energy: -123.319 flat angles C4'-P-C4' energy: -105.922 flat angles P-C4'-P energy: -62.450 tors. eta vs tors. theta energy: -16.274 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 33 Temperature: 1.300000 Total energy: -612.666820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -612.666820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -612.666820 (E_RNA) where: Base-Base interactions energy: -237.205 where: short stacking energy: -151.795 Base-Backbone interact. energy: -0.967 local terms energy: -374.494262 where: bonds (distance) C4'-P energy: -112.405 bonds (distance) P-C4' energy: -109.244 flat angles C4'-P-C4' energy: -95.462 flat angles P-C4'-P energy: -75.929 tors. eta vs tors. theta energy: 18.546 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 33 Temperature: 1.350000 Total energy: -518.903835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -518.903835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -518.903835 (E_RNA) where: Base-Base interactions energy: -187.167 where: short stacking energy: -130.308 Base-Backbone interact. energy: -2.836 local terms energy: -328.901033 where: bonds (distance) C4'-P energy: -112.989 bonds (distance) P-C4' energy: -100.121 flat angles C4'-P-C4' energy: -80.286 flat angles P-C4'-P energy: -64.806 tors. eta vs tors. theta energy: 29.300 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 34 Temperature: 0.900000 Total energy: -1900.175582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1900.175582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1900.175582 (E_RNA) where: Base-Base interactions energy: -1229.459 where: short stacking energy: -550.078 Base-Backbone interact. energy: -3.261 local terms energy: -667.456224 where: bonds (distance) C4'-P energy: -135.820 bonds (distance) P-C4' energy: -128.990 flat angles C4'-P-C4' energy: -147.942 flat angles P-C4'-P energy: -97.104 tors. eta vs tors. theta energy: -157.600 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 34 Temperature: 0.950000 Total energy: -1821.573793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1821.573793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1821.573793 (E_RNA) where: Base-Base interactions energy: -1173.770 where: short stacking energy: -488.216 Base-Backbone interact. energy: -3.754 local terms energy: -644.050705 where: bonds (distance) C4'-P energy: -121.614 bonds (distance) P-C4' energy: -136.922 flat angles C4'-P-C4' energy: -143.496 flat angles P-C4'-P energy: -94.073 tors. eta vs tors. theta energy: -147.946 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 34 Temperature: 1.000000 Total energy: -1552.763213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1552.763213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1552.763213 (E_RNA) where: Base-Base interactions energy: -937.242 where: short stacking energy: -450.809 Base-Backbone interact. energy: 0.813 local terms energy: -616.334428 where: bonds (distance) C4'-P energy: -127.356 bonds (distance) P-C4' energy: -134.938 flat angles C4'-P-C4' energy: -131.040 flat angles P-C4'-P energy: -109.985 tors. eta vs tors. theta energy: -113.016 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 34 Temperature: 1.050000 Total energy: -1453.756481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1453.756481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1453.756481 (E_RNA) where: Base-Base interactions energy: -899.199 where: short stacking energy: -453.886 Base-Backbone interact. energy: -1.233 local terms energy: -553.324119 where: bonds (distance) C4'-P energy: -107.297 bonds (distance) P-C4' energy: -129.718 flat angles C4'-P-C4' energy: -116.360 flat angles P-C4'-P energy: -88.536 tors. eta vs tors. theta energy: -111.413 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: 5, replica: 10 ===================================== Write number: 34 Temperature: 1.100000 Total energy: -1288.981879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1288.981879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1288.981879 (E_RNA) where: Base-Base interactions energy: -764.279 where: short stacking energy: -343.550 Base-Backbone interact. energy: -3.074 local terms energy: -521.628305 where: bonds (distance) C4'-P energy: -115.869 bonds (distance) P-C4' energy: -132.039 flat angles C4'-P-C4' energy: -121.697 flat angles P-C4'-P energy: -78.743 tors. eta vs tors. theta energy: -73.280 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 34 Temperature: 1.150000 Total energy: -1205.748640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1205.748640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1205.748640 (E_RNA) where: Base-Base interactions energy: -716.790 where: short stacking energy: -344.765 Base-Backbone interact. energy: -1.212 local terms energy: -487.746340 where: bonds (distance) C4'-P energy: -112.684 bonds (distance) P-C4' energy: -109.241 flat angles C4'-P-C4' energy: -125.506 flat angles P-C4'-P energy: -70.157 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: 1 ===================================== Write number: 34 Temperature: 1.200000 Total energy: -1117.229183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1117.229183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1117.229183 (E_RNA) where: Base-Base interactions energy: -643.517 where: short stacking energy: -307.398 Base-Backbone interact. energy: 0.070 local terms energy: -473.781908 where: bonds (distance) C4'-P energy: -111.814 bonds (distance) P-C4' energy: -128.817 flat angles C4'-P-C4' energy: -110.614 flat angles P-C4'-P energy: -66.844 tors. eta vs tors. theta energy: -55.692 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: 34 Temperature: 1.250000 Total energy: -918.416181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -918.416181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -918.416181 (E_RNA) where: Base-Base interactions energy: -502.012 where: short stacking energy: -256.199 Base-Backbone interact. energy: -3.974 local terms energy: -412.430365 where: bonds (distance) C4'-P energy: -96.226 bonds (distance) P-C4' energy: -108.541 flat angles C4'-P-C4' energy: -107.294 flat angles P-C4'-P energy: -62.655 tors. eta vs tors. theta energy: -37.714 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 34 Temperature: 1.300000 Total energy: -616.681096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -616.681096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -616.681096 (E_RNA) where: Base-Base interactions energy: -255.331 where: short stacking energy: -172.725 Base-Backbone interact. energy: 1.906 local terms energy: -363.256428 where: bonds (distance) C4'-P energy: -83.995 bonds (distance) P-C4' energy: -127.886 flat angles C4'-P-C4' energy: -94.734 flat angles P-C4'-P energy: -57.597 tors. eta vs tors. theta energy: 0.957 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 34 Temperature: 1.350000 Total energy: -510.531346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -510.531346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -510.531346 (E_RNA) where: Base-Base interactions energy: -167.114 where: short stacking energy: -136.310 Base-Backbone interact. energy: -2.327 local terms energy: -341.090274 where: bonds (distance) C4'-P energy: -109.431 bonds (distance) P-C4' energy: -112.420 flat angles C4'-P-C4' energy: -85.160 flat angles P-C4'-P energy: -52.308 tors. eta vs tors. theta energy: 18.228 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 35 Temperature: 0.900000 Total energy: -1903.347869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1903.347869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1903.347869 (E_RNA) where: Base-Base interactions energy: -1253.905 where: short stacking energy: -554.038 Base-Backbone interact. energy: -4.927 local terms energy: -644.516189 where: bonds (distance) C4'-P energy: -119.328 bonds (distance) P-C4' energy: -134.853 flat angles C4'-P-C4' energy: -130.234 flat angles P-C4'-P energy: -97.459 tors. eta vs tors. theta energy: -162.643 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 35 Temperature: 0.950000 Total energy: -1837.778288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1837.778288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1837.778288 (E_RNA) where: Base-Base interactions energy: -1206.871 where: short stacking energy: -524.505 Base-Backbone interact. energy: -3.551 local terms energy: -627.356305 where: bonds (distance) C4'-P energy: -135.178 bonds (distance) P-C4' energy: -128.344 flat angles C4'-P-C4' energy: -146.311 flat angles P-C4'-P energy: -65.949 tors. eta vs tors. theta energy: -151.574 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: 2 ===================================== Write number: 35 Temperature: 1.000000 Total energy: -1627.504504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1627.504504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1627.504504 (E_RNA) where: Base-Base interactions energy: -1046.854 where: short stacking energy: -472.488 Base-Backbone interact. energy: -1.852 local terms energy: -578.797974 where: bonds (distance) C4'-P energy: -132.546 bonds (distance) P-C4' energy: -111.280 flat angles C4'-P-C4' energy: -129.149 flat angles P-C4'-P energy: -79.095 tors. eta vs tors. theta energy: -126.727 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 35 Temperature: 1.050000 Total energy: -1406.771451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1406.771451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1406.771451 (E_RNA) where: Base-Base interactions energy: -861.131 where: short stacking energy: -426.310 Base-Backbone interact. energy: -2.695 local terms energy: -542.946291 where: bonds (distance) C4'-P energy: -123.800 bonds (distance) P-C4' energy: -117.296 flat angles C4'-P-C4' energy: -119.414 flat angles P-C4'-P energy: -78.693 tors. eta vs tors. theta energy: -103.743 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: 10 ===================================== Write number: 35 Temperature: 1.100000 Total energy: -1277.353794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1277.353794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1277.353794 (E_RNA) where: Base-Base interactions energy: -763.814 where: short stacking energy: -341.087 Base-Backbone interact. energy: -1.094 local terms energy: -513.401859 where: bonds (distance) C4'-P energy: -105.361 bonds (distance) P-C4' energy: -122.053 flat angles C4'-P-C4' energy: -115.796 flat angles P-C4'-P energy: -86.672 tors. eta vs tors. theta energy: -83.521 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.957 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 35 Temperature: 1.150000 Total energy: -1201.533081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1201.533081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1201.533081 (E_RNA) where: Base-Base interactions energy: -695.730 where: short stacking energy: -334.549 Base-Backbone interact. energy: -0.490 local terms energy: -505.313105 where: bonds (distance) C4'-P energy: -117.074 bonds (distance) P-C4' energy: -127.575 flat angles C4'-P-C4' energy: -132.425 flat angles P-C4'-P energy: -56.608 tors. eta vs tors. theta energy: -71.632 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 35 Temperature: 1.200000 Total energy: -995.508802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -995.508802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -995.508802 (E_RNA) where: Base-Base interactions energy: -544.811 where: short stacking energy: -268.093 Base-Backbone interact. energy: -2.733 local terms energy: -447.964845 where: bonds (distance) C4'-P energy: -115.054 bonds (distance) P-C4' energy: -119.382 flat angles C4'-P-C4' energy: -108.634 flat angles P-C4'-P energy: -69.533 tors. eta vs tors. theta energy: -35.362 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 35 Temperature: 1.250000 Total energy: -834.996943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -834.996943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -834.996943 (E_RNA) where: Base-Base interactions energy: -457.565 where: short stacking energy: -238.013 Base-Backbone interact. energy: 9.112 local terms energy: -386.543752 where: bonds (distance) C4'-P energy: -95.804 bonds (distance) P-C4' energy: -115.644 flat angles C4'-P-C4' energy: -104.154 flat angles P-C4'-P energy: -57.838 tors. eta vs tors. theta energy: -13.103 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 35 Temperature: 1.300000 Total energy: -539.165856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -539.165856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -539.165856 (E_RNA) where: Base-Base interactions energy: -199.115 where: short stacking energy: -135.585 Base-Backbone interact. energy: 2.900 local terms energy: -342.951038 where: bonds (distance) C4'-P energy: -116.067 bonds (distance) P-C4' energy: -117.092 flat angles C4'-P-C4' energy: -89.806 flat angles P-C4'-P energy: -44.777 tors. eta vs tors. theta energy: 24.791 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: 9 ===================================== Write number: 35 Temperature: 1.350000 Total energy: -472.926878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -472.926878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -472.926878 (E_RNA) where: Base-Base interactions energy: -167.528 where: short stacking energy: -134.385 Base-Backbone interact. energy: 2.360 local terms energy: -307.758395 where: bonds (distance) C4'-P energy: -97.492 bonds (distance) P-C4' energy: -106.325 flat angles C4'-P-C4' energy: -83.332 flat angles P-C4'-P energy: -53.421 tors. eta vs tors. theta energy: 32.812 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: 1, replica: 6 ===================================== Write number: 36 Temperature: 0.900000 Total energy: -1932.191590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1932.191590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1932.191590 (E_RNA) where: Base-Base interactions energy: -1256.421 where: short stacking energy: -557.296 Base-Backbone interact. energy: -0.048 local terms energy: -675.722462 where: bonds (distance) C4'-P energy: -122.819 bonds (distance) P-C4' energy: -146.450 flat angles C4'-P-C4' energy: -150.745 flat angles P-C4'-P energy: -87.600 tors. eta vs tors. theta energy: -168.108 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 36 Temperature: 0.950000 Total energy: -1816.314551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1816.314551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1816.314551 (E_RNA) where: Base-Base interactions energy: -1216.092 where: short stacking energy: -511.424 Base-Backbone interact. energy: -0.542 local terms energy: -599.680521 where: bonds (distance) C4'-P energy: -125.203 bonds (distance) P-C4' energy: -123.306 flat angles C4'-P-C4' energy: -133.548 flat angles P-C4'-P energy: -74.076 tors. eta vs tors. theta energy: -143.548 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: 36 Temperature: 1.000000 Total energy: -1631.878848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1631.878848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1631.878848 (E_RNA) where: Base-Base interactions energy: -1022.924 where: short stacking energy: -461.966 Base-Backbone interact. energy: 2.137 local terms energy: -611.091698 where: bonds (distance) C4'-P energy: -125.455 bonds (distance) P-C4' energy: -124.320 flat angles C4'-P-C4' energy: -144.706 flat angles P-C4'-P energy: -87.078 tors. eta vs tors. theta energy: -129.532 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 36 Temperature: 1.050000 Total energy: -1456.059612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1456.059612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1456.059612 (E_RNA) where: Base-Base interactions energy: -919.455 where: short stacking energy: -423.354 Base-Backbone interact. energy: 6.604 local terms energy: -543.208972 where: bonds (distance) C4'-P energy: -106.930 bonds (distance) P-C4' energy: -145.787 flat angles C4'-P-C4' energy: -130.541 flat angles P-C4'-P energy: -60.957 tors. eta vs tors. theta energy: -98.994 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 36 Temperature: 1.100000 Total energy: -1286.638230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1286.638230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1286.638230 (E_RNA) where: Base-Base interactions energy: -783.185 where: short stacking energy: -371.010 Base-Backbone interact. energy: -0.722 local terms energy: -502.731398 where: bonds (distance) C4'-P energy: -112.010 bonds (distance) P-C4' energy: -108.546 flat angles C4'-P-C4' energy: -124.729 flat angles P-C4'-P energy: -74.664 tors. eta vs tors. theta energy: -82.782 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 36 Temperature: 1.150000 Total energy: -1225.461731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1225.461731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1225.461731 (E_RNA) where: Base-Base interactions energy: -718.076 where: short stacking energy: -337.262 Base-Backbone interact. energy: 2.102 local terms energy: -509.487405 where: bonds (distance) C4'-P energy: -118.470 bonds (distance) P-C4' energy: -132.972 flat angles C4'-P-C4' energy: -117.092 flat angles P-C4'-P energy: -74.251 tors. eta vs tors. theta energy: -66.702 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 36 Temperature: 1.200000 Total energy: -1007.819130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1007.819130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1007.819130 (E_RNA) where: Base-Base interactions energy: -557.169 where: short stacking energy: -274.685 Base-Backbone interact. energy: 1.256 local terms energy: -451.906294 where: bonds (distance) C4'-P energy: -101.385 bonds (distance) P-C4' energy: -122.700 flat angles C4'-P-C4' energy: -123.877 flat angles P-C4'-P energy: -59.247 tors. eta vs tors. theta energy: -44.697 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 36 Temperature: 1.250000 Total energy: -858.623789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -858.623789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -858.623789 (E_RNA) where: Base-Base interactions energy: -461.326 where: short stacking energy: -254.784 Base-Backbone interact. energy: 1.724 local terms energy: -399.022121 where: bonds (distance) C4'-P energy: -115.996 bonds (distance) P-C4' energy: -109.112 flat angles C4'-P-C4' energy: -113.960 flat angles P-C4'-P energy: -35.560 tors. eta vs tors. theta energy: -24.393 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: 3 ===================================== Write number: 36 Temperature: 1.300000 Total energy: -545.253282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -545.253282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -545.253282 (E_RNA) where: Base-Base interactions energy: -210.665 where: short stacking energy: -163.576 Base-Backbone interact. energy: -1.067 local terms energy: -333.521581 where: bonds (distance) C4'-P energy: -99.886 bonds (distance) P-C4' energy: -120.078 flat angles C4'-P-C4' energy: -74.477 flat angles P-C4'-P energy: -55.948 tors. eta vs tors. theta energy: 16.868 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 36 Temperature: 1.350000 Total energy: -504.061274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -504.061274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -504.061274 (E_RNA) where: Base-Base interactions energy: -212.947 where: short stacking energy: -158.435 Base-Backbone interact. energy: -3.528 local terms energy: -287.586633 where: bonds (distance) C4'-P energy: -104.021 bonds (distance) P-C4' energy: -120.686 flat angles C4'-P-C4' energy: -59.988 flat angles P-C4'-P energy: -30.193 tors. eta vs tors. theta energy: 27.301 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 37 Temperature: 0.900000 Total energy: -1900.719758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1900.719758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1900.719758 (E_RNA) where: Base-Base interactions energy: -1247.858 where: short stacking energy: -560.988 Base-Backbone interact. energy: -4.329 local terms energy: -648.532480 where: bonds (distance) C4'-P energy: -107.368 bonds (distance) P-C4' energy: -144.316 flat angles C4'-P-C4' energy: -143.395 flat angles P-C4'-P energy: -96.555 tors. eta vs tors. theta energy: -156.898 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: 8 ===================================== Write number: 37 Temperature: 0.950000 Total energy: -1839.349048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1839.349048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1839.349048 (E_RNA) where: Base-Base interactions energy: -1206.697 where: short stacking energy: -528.324 Base-Backbone interact. energy: -1.127 local terms energy: -631.524587 where: bonds (distance) C4'-P energy: -124.554 bonds (distance) P-C4' energy: -118.608 flat angles C4'-P-C4' energy: -141.414 flat angles P-C4'-P energy: -93.016 tors. eta vs tors. theta energy: -153.933 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 37 Temperature: 1.000000 Total energy: -1653.581655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1653.581655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1653.581655 (E_RNA) where: Base-Base interactions energy: -1076.608 where: short stacking energy: -451.896 Base-Backbone interact. energy: 4.242 local terms energy: -581.216316 where: bonds (distance) C4'-P energy: -114.139 bonds (distance) P-C4' energy: -118.134 flat angles C4'-P-C4' energy: -132.003 flat angles P-C4'-P energy: -92.622 tors. eta vs tors. theta energy: -124.319 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 37 Temperature: 1.050000 Total energy: -1489.089608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1489.089608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1489.089608 (E_RNA) where: Base-Base interactions energy: -904.427 where: short stacking energy: -424.163 Base-Backbone interact. energy: 3.052 local terms energy: -587.715431 where: bonds (distance) C4'-P energy: -142.968 bonds (distance) P-C4' energy: -125.867 flat angles C4'-P-C4' energy: -138.336 flat angles P-C4'-P energy: -79.414 tors. eta vs tors. theta energy: -101.130 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 37 Temperature: 1.100000 Total energy: -1371.360341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1371.360341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1371.360341 (E_RNA) where: Base-Base interactions energy: -829.250 where: short stacking energy: -393.343 Base-Backbone interact. energy: 0.077 local terms energy: -542.188031 where: bonds (distance) C4'-P energy: -124.587 bonds (distance) P-C4' energy: -116.989 flat angles C4'-P-C4' energy: -123.255 flat angles P-C4'-P energy: -92.234 tors. eta vs tors. theta energy: -85.124 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: 10 ===================================== Write number: 37 Temperature: 1.150000 Total energy: -1230.580439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1230.580439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1230.580439 (E_RNA) where: Base-Base interactions energy: -744.250 where: short stacking energy: -359.341 Base-Backbone interact. energy: -1.512 local terms energy: -485.694816 where: bonds (distance) C4'-P energy: -118.460 bonds (distance) P-C4' energy: -109.272 flat angles C4'-P-C4' energy: -111.895 flat angles P-C4'-P energy: -59.614 tors. eta vs tors. theta energy: -86.454 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.876 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 37 Temperature: 1.200000 Total energy: -1013.973451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1013.973451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1013.973451 (E_RNA) where: Base-Base interactions energy: -573.448 where: short stacking energy: -256.092 Base-Backbone interact. energy: -3.438 local terms energy: -437.087941 where: bonds (distance) C4'-P energy: -122.971 bonds (distance) P-C4' energy: -119.197 flat angles C4'-P-C4' energy: -113.591 flat angles P-C4'-P energy: -64.833 tors. eta vs tors. theta energy: -16.495 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 37 Temperature: 1.250000 Total energy: -874.610938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -874.610938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -874.610938 (E_RNA) where: Base-Base interactions energy: -484.291 where: short stacking energy: -244.687 Base-Backbone interact. energy: -0.597 local terms energy: -389.723130 where: bonds (distance) C4'-P energy: -102.917 bonds (distance) P-C4' energy: -115.624 flat angles C4'-P-C4' energy: -98.545 flat angles P-C4'-P energy: -47.132 tors. eta vs tors. theta energy: -25.504 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 37 Temperature: 1.300000 Total energy: -542.008695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -542.008695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -542.008695 (E_RNA) where: Base-Base interactions energy: -190.112 where: short stacking energy: -149.481 Base-Backbone interact. energy: 1.965 local terms energy: -353.861649 where: bonds (distance) C4'-P energy: -113.651 bonds (distance) P-C4' energy: -124.114 flat angles C4'-P-C4' energy: -91.343 flat angles P-C4'-P energy: -44.066 tors. eta vs tors. theta energy: 19.313 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: 9 ===================================== Write number: 37 Temperature: 1.350000 Total energy: -504.381186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -504.381186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -504.381186 (E_RNA) where: Base-Base interactions energy: -164.252 where: short stacking energy: -131.903 Base-Backbone interact. energy: 1.346 local terms energy: -341.474735 where: bonds (distance) C4'-P energy: -97.025 bonds (distance) P-C4' energy: -120.500 flat angles C4'-P-C4' energy: -88.540 flat angles P-C4'-P energy: -41.987 tors. eta vs tors. theta energy: 6.578 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 38 Temperature: 0.900000 Total energy: -1889.588975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1889.588975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1889.588975 (E_RNA) where: Base-Base interactions energy: -1214.467 where: short stacking energy: -555.518 Base-Backbone interact. energy: -2.083 local terms energy: -673.038974 where: bonds (distance) C4'-P energy: -136.015 bonds (distance) P-C4' energy: -151.326 flat angles C4'-P-C4' energy: -135.281 flat angles P-C4'-P energy: -96.063 tors. eta vs tors. theta energy: -154.353 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 38 Temperature: 0.950000 Total energy: -1802.580233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1802.580233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1802.580233 (E_RNA) where: Base-Base interactions energy: -1162.494 where: short stacking energy: -472.885 Base-Backbone interact. energy: 0.184 local terms energy: -640.269591 where: bonds (distance) C4'-P energy: -137.360 bonds (distance) P-C4' energy: -129.270 flat angles C4'-P-C4' energy: -148.134 flat angles P-C4'-P energy: -92.636 tors. eta vs tors. theta energy: -132.870 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 38 Temperature: 1.000000 Total energy: -1691.547331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1691.547331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1691.547331 (E_RNA) where: Base-Base interactions energy: -1095.330 where: short stacking energy: -466.854 Base-Backbone interact. energy: 2.202 local terms energy: -598.419555 where: bonds (distance) C4'-P energy: -122.721 bonds (distance) P-C4' energy: -137.026 flat angles C4'-P-C4' energy: -123.757 flat angles P-C4'-P energy: -95.292 tors. eta vs tors. theta energy: -119.623 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: 4 ===================================== Write number: 38 Temperature: 1.050000 Total energy: -1511.681354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1511.681354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1511.681354 (E_RNA) where: Base-Base interactions energy: -958.334 where: short stacking energy: -447.647 Base-Backbone interact. energy: -3.145 local terms energy: -550.202419 where: bonds (distance) C4'-P energy: -110.458 bonds (distance) P-C4' energy: -109.170 flat angles C4'-P-C4' energy: -128.011 flat angles P-C4'-P energy: -89.358 tors. eta vs tors. theta energy: -113.204 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 38 Temperature: 1.100000 Total energy: -1299.215487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1299.215487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1299.215487 (E_RNA) where: Base-Base interactions energy: -799.133 where: short stacking energy: -376.272 Base-Backbone interact. energy: -3.058 local terms energy: -497.023817 where: bonds (distance) C4'-P energy: -105.560 bonds (distance) P-C4' energy: -112.909 flat angles C4'-P-C4' energy: -115.478 flat angles P-C4'-P energy: -71.709 tors. eta vs tors. theta energy: -91.368 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: 6, replica: 10 ===================================== Write number: 38 Temperature: 1.150000 Total energy: -1184.466773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1184.466773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1184.466773 (E_RNA) where: Base-Base interactions energy: -695.395 where: short stacking energy: -323.662 Base-Backbone interact. energy: -1.143 local terms energy: -487.928730 where: bonds (distance) C4'-P energy: -113.533 bonds (distance) P-C4' energy: -139.764 flat angles C4'-P-C4' energy: -100.284 flat angles P-C4'-P energy: -62.066 tors. eta vs tors. theta energy: -72.283 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: 1 ===================================== Write number: 38 Temperature: 1.200000 Total energy: -946.399861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -946.399861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -946.399861 (E_RNA) where: Base-Base interactions energy: -525.022 where: short stacking energy: -249.872 Base-Backbone interact. energy: -4.106 local terms energy: -417.271915 where: bonds (distance) C4'-P energy: -101.990 bonds (distance) P-C4' energy: -113.338 flat angles C4'-P-C4' energy: -119.272 flat angles P-C4'-P energy: -63.522 tors. eta vs tors. theta energy: -19.150 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 38 Temperature: 1.250000 Total energy: -905.084076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -905.084076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -905.084076 (E_RNA) where: Base-Base interactions energy: -511.020 where: short stacking energy: -260.515 Base-Backbone interact. energy: -4.808 local terms energy: -389.255828 where: bonds (distance) C4'-P energy: -91.556 bonds (distance) P-C4' energy: -121.707 flat angles C4'-P-C4' energy: -95.217 flat angles P-C4'-P energy: -65.014 tors. eta vs tors. theta energy: -15.762 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: 3 ===================================== Write number: 38 Temperature: 1.300000 Total energy: -514.276913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -514.276913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -514.276913 (E_RNA) where: Base-Base interactions energy: -163.545 where: short stacking energy: -114.046 Base-Backbone interact. energy: 3.432 local terms energy: -354.163988 where: bonds (distance) C4'-P energy: -116.329 bonds (distance) P-C4' energy: -116.439 flat angles C4'-P-C4' energy: -102.636 flat angles P-C4'-P energy: -48.574 tors. eta vs tors. theta energy: 29.814 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 38 Temperature: 1.350000 Total energy: -490.105889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -490.105889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -490.105889 (E_RNA) where: Base-Base interactions energy: -161.627 where: short stacking energy: -104.753 Base-Backbone interact. energy: 2.255 local terms energy: -330.734407 where: bonds (distance) C4'-P energy: -100.507 bonds (distance) P-C4' energy: -113.842 flat angles C4'-P-C4' energy: -101.513 flat angles P-C4'-P energy: -52.875 tors. eta vs tors. theta energy: 38.003 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 39 Temperature: 0.900000 Total energy: -1883.103398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1883.103398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1883.103398 (E_RNA) where: Base-Base interactions energy: -1206.850 where: short stacking energy: -534.936 Base-Backbone interact. energy: -3.956 local terms energy: -672.297938 where: bonds (distance) C4'-P energy: -132.471 bonds (distance) P-C4' energy: -132.203 flat angles C4'-P-C4' energy: -147.479 flat angles P-C4'-P energy: -117.271 tors. eta vs tors. theta energy: -142.873 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 39 Temperature: 0.950000 Total energy: -1853.249905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1853.249905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1853.249905 (E_RNA) where: Base-Base interactions energy: -1230.026 where: short stacking energy: -497.378 Base-Backbone interact. energy: -3.359 local terms energy: -619.864527 where: bonds (distance) C4'-P energy: -114.030 bonds (distance) P-C4' energy: -138.623 flat angles C4'-P-C4' energy: -140.197 flat angles P-C4'-P energy: -82.662 tors. eta vs tors. theta energy: -144.352 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 39 Temperature: 1.000000 Total energy: -1705.123842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1705.123842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1705.123842 (E_RNA) where: Base-Base interactions energy: -1081.175 where: short stacking energy: -470.672 Base-Backbone interact. energy: 1.045 local terms energy: -624.993210 where: bonds (distance) C4'-P energy: -137.259 bonds (distance) P-C4' energy: -118.289 flat angles C4'-P-C4' energy: -139.731 flat angles P-C4'-P energy: -86.176 tors. eta vs tors. theta energy: -143.538 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 39 Temperature: 1.050000 Total energy: -1472.904776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1472.904776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1472.904776 (E_RNA) where: Base-Base interactions energy: -939.296 where: short stacking energy: -376.006 Base-Backbone interact. energy: -0.275 local terms energy: -533.334266 where: bonds (distance) C4'-P energy: -114.220 bonds (distance) P-C4' energy: -125.201 flat angles C4'-P-C4' energy: -133.694 flat angles P-C4'-P energy: -63.867 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: 5, replica: 5 ===================================== Write number: 39 Temperature: 1.100000 Total energy: -1344.754943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1344.754943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1344.754943 (E_RNA) where: Base-Base interactions energy: -811.049 where: short stacking energy: -386.697 Base-Backbone interact. energy: -3.481 local terms energy: -530.224684 where: bonds (distance) C4'-P energy: -125.195 bonds (distance) P-C4' energy: -111.957 flat angles C4'-P-C4' energy: -124.570 flat angles P-C4'-P energy: -82.635 tors. eta vs tors. theta energy: -85.867 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 39 Temperature: 1.150000 Total energy: -1231.533509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1231.533509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1231.533509 (E_RNA) where: Base-Base interactions energy: -709.205 where: short stacking energy: -379.152 Base-Backbone interact. energy: 0.698 local terms energy: -523.026912 where: bonds (distance) C4'-P energy: -115.136 bonds (distance) P-C4' energy: -125.433 flat angles C4'-P-C4' energy: -120.819 flat angles P-C4'-P energy: -73.577 tors. eta vs tors. theta energy: -88.063 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 39 Temperature: 1.200000 Total energy: -893.950403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -893.950403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -893.950403 (E_RNA) where: Base-Base interactions energy: -455.193 where: short stacking energy: -222.291 Base-Backbone interact. energy: 2.645 local terms energy: -441.402607 where: bonds (distance) C4'-P energy: -118.465 bonds (distance) P-C4' energy: -104.660 flat angles C4'-P-C4' energy: -117.905 flat angles P-C4'-P energy: -71.786 tors. eta vs tors. theta energy: -28.587 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 39 Temperature: 1.250000 Total energy: -868.873794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -868.873794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -868.873794 (E_RNA) where: Base-Base interactions energy: -509.215 where: short stacking energy: -256.157 Base-Backbone interact. energy: 3.852 local terms energy: -363.510607 where: bonds (distance) C4'-P energy: -90.337 bonds (distance) P-C4' energy: -115.328 flat angles C4'-P-C4' energy: -91.700 flat angles P-C4'-P energy: -59.861 tors. eta vs tors. theta energy: -6.285 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: 3 ===================================== Write number: 39 Temperature: 1.300000 Total energy: -588.469126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -588.469126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -588.469126 (E_RNA) where: Base-Base interactions energy: -242.655 where: short stacking energy: -160.541 Base-Backbone interact. energy: -4.094 local terms energy: -341.720698 where: bonds (distance) C4'-P energy: -90.350 bonds (distance) P-C4' energy: -119.450 flat angles C4'-P-C4' energy: -93.736 flat angles P-C4'-P energy: -61.081 tors. eta vs tors. theta energy: 22.897 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: 9 ===================================== Write number: 39 Temperature: 1.350000 Total energy: -509.312387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -509.312387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -509.312387 (E_RNA) where: Base-Base interactions energy: -174.636 where: short stacking energy: -131.128 Base-Backbone interact. energy: 5.855 local terms energy: -340.531534 where: bonds (distance) C4'-P energy: -107.675 bonds (distance) P-C4' energy: -115.021 flat angles C4'-P-C4' energy: -90.625 flat angles P-C4'-P energy: -63.734 tors. eta vs tors. theta energy: 36.523 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: 40 Temperature: 0.900000 Total energy: -1951.442155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1951.442155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1951.442155 (E_RNA) where: Base-Base interactions energy: -1286.442 where: short stacking energy: -527.702 Base-Backbone interact. energy: -5.543 local terms energy: -659.457563 where: bonds (distance) C4'-P energy: -120.390 bonds (distance) P-C4' energy: -144.041 flat angles C4'-P-C4' energy: -155.182 flat angles P-C4'-P energy: -77.772 tors. eta vs tors. theta energy: -162.073 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 40 Temperature: 0.950000 Total energy: -1870.258503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1870.258503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1870.258503 (E_RNA) where: Base-Base interactions energy: -1231.141 where: short stacking energy: -531.096 Base-Backbone interact. energy: 2.182 local terms energy: -641.299180 where: bonds (distance) C4'-P energy: -119.278 bonds (distance) P-C4' energy: -144.081 flat angles C4'-P-C4' energy: -141.720 flat angles P-C4'-P energy: -84.938 tors. eta vs tors. theta energy: -151.282 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: 2 ===================================== Write number: 40 Temperature: 1.000000 Total energy: -1611.584089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1611.584089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1611.584089 (E_RNA) where: Base-Base interactions energy: -1010.262 where: short stacking energy: -439.337 Base-Backbone interact. energy: 2.184 local terms energy: -603.506866 where: bonds (distance) C4'-P energy: -120.559 bonds (distance) P-C4' energy: -128.201 flat angles C4'-P-C4' energy: -135.352 flat angles P-C4'-P energy: -87.563 tors. eta vs tors. theta energy: -131.832 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: 4 ===================================== Write number: 40 Temperature: 1.050000 Total energy: -1520.012954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1520.012954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1520.012954 (E_RNA) where: Base-Base interactions energy: -945.544 where: short stacking energy: -399.369 Base-Backbone interact. energy: -0.535 local terms energy: -573.934633 where: bonds (distance) C4'-P energy: -130.388 bonds (distance) P-C4' energy: -140.104 flat angles C4'-P-C4' energy: -131.411 flat angles P-C4'-P energy: -76.471 tors. eta vs tors. theta energy: -95.561 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 40 Temperature: 1.100000 Total energy: -1388.573063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1388.573063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1388.573063 (E_RNA) where: Base-Base interactions energy: -862.740 where: short stacking energy: -427.999 Base-Backbone interact. energy: -1.386 local terms energy: -524.446510 where: bonds (distance) C4'-P energy: -91.457 bonds (distance) P-C4' energy: -118.218 flat angles C4'-P-C4' energy: -131.092 flat angles P-C4'-P energy: -85.707 tors. eta vs tors. theta energy: -97.974 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: 10 ===================================== Write number: 40 Temperature: 1.150000 Total energy: -1240.795873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1240.795873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1240.795873 (E_RNA) where: Base-Base interactions energy: -727.183 where: short stacking energy: -341.636 Base-Backbone interact. energy: -2.831 local terms energy: -510.781671 where: bonds (distance) C4'-P energy: -132.408 bonds (distance) P-C4' energy: -118.078 flat angles C4'-P-C4' energy: -119.243 flat angles P-C4'-P energy: -64.933 tors. eta vs tors. theta energy: -76.119 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 40 Temperature: 1.200000 Total energy: -988.539236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -988.539236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -988.539236 (E_RNA) where: Base-Base interactions energy: -553.202 where: short stacking energy: -284.995 Base-Backbone interact. energy: -2.657 local terms energy: -432.680317 where: bonds (distance) C4'-P energy: -104.246 bonds (distance) P-C4' energy: -118.145 flat angles C4'-P-C4' energy: -105.422 flat angles P-C4'-P energy: -55.675 tors. eta vs tors. theta energy: -49.193 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 40 Temperature: 1.250000 Total energy: -801.775203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -801.775203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -801.775203 (E_RNA) where: Base-Base interactions energy: -420.194 where: short stacking energy: -219.368 Base-Backbone interact. energy: 3.463 local terms energy: -385.044254 where: bonds (distance) C4'-P energy: -115.130 bonds (distance) P-C4' energy: -118.490 flat angles C4'-P-C4' energy: -92.806 flat angles P-C4'-P energy: -47.157 tors. eta vs tors. theta energy: -11.461 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: 3 ===================================== Write number: 40 Temperature: 1.300000 Total energy: -541.810541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -541.810541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -541.810541 (E_RNA) where: Base-Base interactions energy: -187.774 where: short stacking energy: -148.026 Base-Backbone interact. energy: -0.070 local terms energy: -353.966181 where: bonds (distance) C4'-P energy: -114.340 bonds (distance) P-C4' energy: -112.385 flat angles C4'-P-C4' energy: -85.752 flat angles P-C4'-P energy: -58.210 tors. eta vs tors. theta energy: 16.721 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 40 Temperature: 1.350000 Total energy: -485.453938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -485.453938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -485.453938 (E_RNA) where: Base-Base interactions energy: -179.673 where: short stacking energy: -134.873 Base-Backbone interact. energy: 1.545 local terms energy: -307.326605 where: bonds (distance) C4'-P energy: -108.900 bonds (distance) P-C4' energy: -85.274 flat angles C4'-P-C4' energy: -94.213 flat angles P-C4'-P energy: -46.703 tors. eta vs tors. theta energy: 27.763 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 41 Temperature: 0.900000 Total energy: -1980.360031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1980.360031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1980.360031 (E_RNA) where: Base-Base interactions energy: -1310.189 where: short stacking energy: -550.924 Base-Backbone interact. energy: -2.290 local terms energy: -667.880849 where: bonds (distance) C4'-P energy: -128.762 bonds (distance) P-C4' energy: -134.895 flat angles C4'-P-C4' energy: -150.187 flat angles P-C4'-P energy: -102.032 tors. eta vs tors. theta energy: -152.006 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 41 Temperature: 0.950000 Total energy: -1828.816465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1828.816465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1828.816465 (E_RNA) where: Base-Base interactions energy: -1170.306 where: short stacking energy: -536.236 Base-Backbone interact. energy: -1.378 local terms energy: -657.132524 where: bonds (distance) C4'-P energy: -144.952 bonds (distance) P-C4' energy: -125.041 flat angles C4'-P-C4' energy: -144.549 flat angles P-C4'-P energy: -90.731 tors. eta vs tors. theta energy: -151.859 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: 2 ===================================== Write number: 41 Temperature: 1.000000 Total energy: -1618.175354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1618.175354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1618.175354 (E_RNA) where: Base-Base interactions energy: -1019.377 where: short stacking energy: -447.457 Base-Backbone interact. energy: 0.261 local terms energy: -599.059442 where: bonds (distance) C4'-P energy: -127.268 bonds (distance) P-C4' energy: -138.574 flat angles C4'-P-C4' energy: -131.119 flat angles P-C4'-P energy: -81.759 tors. eta vs tors. theta energy: -120.340 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 41 Temperature: 1.050000 Total energy: -1512.177918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1512.177918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1512.177918 (E_RNA) where: Base-Base interactions energy: -929.033 where: short stacking energy: -434.451 Base-Backbone interact. energy: -4.355 local terms energy: -578.790524 where: bonds (distance) C4'-P energy: -121.357 bonds (distance) P-C4' energy: -124.453 flat angles C4'-P-C4' energy: -132.172 flat angles P-C4'-P energy: -91.893 tors. eta vs tors. theta energy: -108.916 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: 5 ===================================== Write number: 41 Temperature: 1.100000 Total energy: -1386.523661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1386.523661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1386.523661 (E_RNA) where: Base-Base interactions energy: -836.934 where: short stacking energy: -389.034 Base-Backbone interact. energy: -1.855 local terms energy: -547.735426 where: bonds (distance) C4'-P energy: -127.213 bonds (distance) P-C4' energy: -111.590 flat angles C4'-P-C4' energy: -132.411 flat angles P-C4'-P energy: -86.763 tors. eta vs tors. theta energy: -89.758 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: 6, replica: 10 ===================================== Write number: 41 Temperature: 1.150000 Total energy: -1307.095788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1307.095788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1307.095788 (E_RNA) where: Base-Base interactions energy: -790.478 where: short stacking energy: -361.278 Base-Backbone interact. energy: -0.767 local terms energy: -515.849996 where: bonds (distance) C4'-P energy: -111.375 bonds (distance) P-C4' energy: -127.574 flat angles C4'-P-C4' energy: -122.257 flat angles P-C4'-P energy: -79.691 tors. eta vs tors. theta energy: -74.952 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: 7, replica: 7 ===================================== Write number: 41 Temperature: 1.200000 Total energy: -945.197080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -945.197080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -945.197080 (E_RNA) where: Base-Base interactions energy: -507.317 where: short stacking energy: -259.476 Base-Backbone interact. energy: 0.581 local terms energy: -438.461175 where: bonds (distance) C4'-P energy: -103.050 bonds (distance) P-C4' energy: -121.436 flat angles C4'-P-C4' energy: -106.651 flat angles P-C4'-P energy: -83.480 tors. eta vs tors. theta energy: -23.844 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: 41 Temperature: 1.250000 Total energy: -767.270443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -767.270443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -767.270443 (E_RNA) where: Base-Base interactions energy: -391.422 where: short stacking energy: -231.334 Base-Backbone interact. energy: -0.073 local terms energy: -375.775228 where: bonds (distance) C4'-P energy: -118.206 bonds (distance) P-C4' energy: -112.863 flat angles C4'-P-C4' energy: -93.400 flat angles P-C4'-P energy: -60.672 tors. eta vs tors. theta energy: 9.365 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: 9, replica: 3 ===================================== Write number: 41 Temperature: 1.300000 Total energy: -552.599663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -552.599663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -552.599663 (E_RNA) where: Base-Base interactions energy: -226.523 where: short stacking energy: -167.115 Base-Backbone interact. energy: 1.872 local terms energy: -327.948232 where: bonds (distance) C4'-P energy: -111.300 bonds (distance) P-C4' energy: -100.450 flat angles C4'-P-C4' energy: -90.429 flat angles P-C4'-P energy: -38.335 tors. eta vs tors. theta energy: 12.567 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 41 Temperature: 1.350000 Total energy: -465.674720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -465.674720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -465.674720 (E_RNA) where: Base-Base interactions energy: -137.483 where: short stacking energy: -109.403 Base-Backbone interact. energy: -1.325 local terms energy: -326.867043 where: bonds (distance) C4'-P energy: -110.329 bonds (distance) P-C4' energy: -123.762 flat angles C4'-P-C4' energy: -71.521 flat angles P-C4'-P energy: -49.889 tors. eta vs tors. theta energy: 28.633 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 42 Temperature: 0.900000 Total energy: -1978.462473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1978.462473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1978.462473 (E_RNA) where: Base-Base interactions energy: -1325.219 where: short stacking energy: -560.585 Base-Backbone interact. energy: -0.237 local terms energy: -653.007226 where: bonds (distance) C4'-P energy: -135.072 bonds (distance) P-C4' energy: -120.778 flat angles C4'-P-C4' energy: -140.238 flat angles P-C4'-P energy: -92.904 tors. eta vs tors. theta energy: -164.016 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 42 Temperature: 0.950000 Total energy: -1792.108404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1792.108404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1792.108404 (E_RNA) where: Base-Base interactions energy: -1148.635 where: short stacking energy: -517.616 Base-Backbone interact. energy: -0.822 local terms energy: -642.651102 where: bonds (distance) C4'-P energy: -116.203 bonds (distance) P-C4' energy: -133.320 flat angles C4'-P-C4' energy: -144.562 flat angles P-C4'-P energy: -100.743 tors. eta vs tors. theta energy: -147.823 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: 3, replica: 2 ===================================== Write number: 42 Temperature: 1.000000 Total energy: -1705.445116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1705.445116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1705.445116 (E_RNA) where: Base-Base interactions energy: -1113.822 where: short stacking energy: -452.519 Base-Backbone interact. energy: -3.220 local terms energy: -588.402524 where: bonds (distance) C4'-P energy: -126.029 bonds (distance) P-C4' energy: -128.216 flat angles C4'-P-C4' energy: -130.485 flat angles P-C4'-P energy: -86.915 tors. eta vs tors. theta energy: -116.758 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 42 Temperature: 1.050000 Total energy: -1576.235760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1576.235760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1576.235760 (E_RNA) where: Base-Base interactions energy: -985.556 where: short stacking energy: -444.446 Base-Backbone interact. energy: -3.717 local terms energy: -586.962922 where: bonds (distance) C4'-P energy: -125.297 bonds (distance) P-C4' energy: -136.758 flat angles C4'-P-C4' energy: -126.515 flat angles P-C4'-P energy: -80.001 tors. eta vs tors. theta energy: -118.393 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 42 Temperature: 1.100000 Total energy: -1453.497763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1453.497763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1453.497763 (E_RNA) where: Base-Base interactions energy: -905.561 where: short stacking energy: -395.613 Base-Backbone interact. energy: -3.834 local terms energy: -544.102268 where: bonds (distance) C4'-P energy: -110.306 bonds (distance) P-C4' energy: -130.265 flat angles C4'-P-C4' energy: -125.238 flat angles P-C4'-P energy: -68.430 tors. eta vs tors. theta energy: -109.864 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: 10 ===================================== Write number: 42 Temperature: 1.150000 Total energy: -1232.284074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1232.284074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1232.284074 (E_RNA) where: Base-Base interactions energy: -728.407 where: short stacking energy: -322.161 Base-Backbone interact. energy: 0.247 local terms energy: -504.123253 where: bonds (distance) C4'-P energy: -116.577 bonds (distance) P-C4' energy: -129.019 flat angles C4'-P-C4' energy: -125.316 flat angles P-C4'-P energy: -80.273 tors. eta vs tors. theta energy: -52.938 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 42 Temperature: 1.200000 Total energy: -984.736712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -984.736712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -984.736712 (E_RNA) where: Base-Base interactions energy: -556.118 where: short stacking energy: -287.765 Base-Backbone interact. energy: 0.418 local terms energy: -429.037212 where: bonds (distance) C4'-P energy: -110.572 bonds (distance) P-C4' energy: -114.475 flat angles C4'-P-C4' energy: -105.823 flat angles P-C4'-P energy: -63.564 tors. eta vs tors. theta energy: -34.603 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 42 Temperature: 1.250000 Total energy: -739.686010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -739.686010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -739.686010 (E_RNA) where: Base-Base interactions energy: -378.469 where: short stacking energy: -209.611 Base-Backbone interact. energy: -1.801 local terms energy: -359.415381 where: bonds (distance) C4'-P energy: -112.392 bonds (distance) P-C4' energy: -105.861 flat angles C4'-P-C4' energy: -92.435 flat angles P-C4'-P energy: -45.164 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: 9, replica: 3 ===================================== Write number: 42 Temperature: 1.300000 Total energy: -536.733243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -536.733243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -536.733243 (E_RNA) where: Base-Base interactions energy: -194.925 where: short stacking energy: -131.603 Base-Backbone interact. energy: 0.767 local terms energy: -342.575252 where: bonds (distance) C4'-P energy: -91.112 bonds (distance) P-C4' energy: -114.079 flat angles C4'-P-C4' energy: -102.868 flat angles P-C4'-P energy: -56.672 tors. eta vs tors. theta energy: 22.156 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 42 Temperature: 1.350000 Total energy: -509.110753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -509.110753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -509.110753 (E_RNA) where: Base-Base interactions energy: -176.937 where: short stacking energy: -116.661 Base-Backbone interact. energy: 0.087 local terms energy: -332.261519 where: bonds (distance) C4'-P energy: -104.043 bonds (distance) P-C4' energy: -105.617 flat angles C4'-P-C4' energy: -93.893 flat angles P-C4'-P energy: -60.111 tors. eta vs tors. theta energy: 31.403 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 43 Temperature: 0.900000 Total energy: -1942.997492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1942.997492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1942.997492 (E_RNA) where: Base-Base interactions energy: -1307.549 where: short stacking energy: -534.645 Base-Backbone interact. energy: -5.583 local terms energy: -629.865436 where: bonds (distance) C4'-P energy: -122.539 bonds (distance) P-C4' energy: -142.197 flat angles C4'-P-C4' energy: -132.983 flat angles P-C4'-P energy: -78.367 tors. eta vs tors. theta energy: -153.779 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 43 Temperature: 0.950000 Total energy: -1842.991948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1842.991948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1842.991948 (E_RNA) where: Base-Base interactions energy: -1227.244 where: short stacking energy: -519.636 Base-Backbone interact. energy: -5.324 local terms energy: -610.424474 where: bonds (distance) C4'-P energy: -123.424 bonds (distance) P-C4' energy: -139.569 flat angles C4'-P-C4' energy: -133.159 flat angles P-C4'-P energy: -74.119 tors. eta vs tors. theta energy: -140.153 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: 2 ===================================== Write number: 43 Temperature: 1.000000 Total energy: -1735.878446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1735.878446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1735.878446 (E_RNA) where: Base-Base interactions energy: -1150.375 where: short stacking energy: -505.854 Base-Backbone interact. energy: 0.968 local terms energy: -586.471427 where: bonds (distance) C4'-P energy: -109.629 bonds (distance) P-C4' energy: -140.101 flat angles C4'-P-C4' energy: -130.415 flat angles P-C4'-P energy: -75.620 tors. eta vs tors. theta energy: -130.707 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 43 Temperature: 1.050000 Total energy: -1606.449094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1606.449094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1606.449094 (E_RNA) where: Base-Base interactions energy: -1007.644 where: short stacking energy: -466.937 Base-Backbone interact. energy: -1.840 local terms energy: -596.964800 where: bonds (distance) C4'-P energy: -133.826 bonds (distance) P-C4' energy: -116.798 flat angles C4'-P-C4' energy: -135.030 flat angles P-C4'-P energy: -79.560 tors. eta vs tors. theta energy: -131.751 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: 5 ===================================== Write number: 43 Temperature: 1.100000 Total energy: -1453.437321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1453.437321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1453.437321 (E_RNA) where: Base-Base interactions energy: -898.901 where: short stacking energy: -421.862 Base-Backbone interact. energy: -3.446 local terms energy: -551.090866 where: bonds (distance) C4'-P energy: -109.094 bonds (distance) P-C4' energy: -119.734 flat angles C4'-P-C4' energy: -143.060 flat angles P-C4'-P energy: -76.237 tors. eta vs tors. theta energy: -102.966 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 43 Temperature: 1.150000 Total energy: -1197.443932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1197.443932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1197.443932 (E_RNA) where: Base-Base interactions energy: -693.648 where: short stacking energy: -340.242 Base-Backbone interact. energy: -0.437 local terms energy: -503.359327 where: bonds (distance) C4'-P energy: -114.172 bonds (distance) P-C4' energy: -125.297 flat angles C4'-P-C4' energy: -121.915 flat angles P-C4'-P energy: -71.415 tors. eta vs tors. theta energy: -70.560 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: 7 ===================================== Write number: 43 Temperature: 1.200000 Total energy: -1029.739122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1029.739122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1029.739122 (E_RNA) where: Base-Base interactions energy: -579.608 where: short stacking energy: -291.620 Base-Backbone interact. energy: 1.238 local terms energy: -451.369221 where: bonds (distance) C4'-P energy: -105.837 bonds (distance) P-C4' energy: -114.031 flat angles C4'-P-C4' energy: -95.760 flat angles P-C4'-P energy: -85.845 tors. eta vs tors. theta energy: -49.895 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 43 Temperature: 1.250000 Total energy: -780.469471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -780.469471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -780.469471 (E_RNA) where: Base-Base interactions energy: -359.977 where: short stacking energy: -249.113 Base-Backbone interact. energy: -0.087 local terms energy: -420.405365 where: bonds (distance) C4'-P energy: -102.020 bonds (distance) P-C4' energy: -116.874 flat angles C4'-P-C4' energy: -97.778 flat angles P-C4'-P energy: -81.916 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: 3 ===================================== Write number: 43 Temperature: 1.300000 Total energy: -570.841322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -570.841322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -570.841322 (E_RNA) where: Base-Base interactions energy: -211.075 where: short stacking energy: -144.017 Base-Backbone interact. energy: 4.988 local terms energy: -364.753859 where: bonds (distance) C4'-P energy: -119.640 bonds (distance) P-C4' energy: -115.589 flat angles C4'-P-C4' energy: -89.568 flat angles P-C4'-P energy: -42.865 tors. eta vs tors. theta energy: 2.907 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 43 Temperature: 1.350000 Total energy: -504.783379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -504.783379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -504.783379 (E_RNA) where: Base-Base interactions energy: -182.255 where: short stacking energy: -110.675 Base-Backbone interact. energy: -3.892 local terms energy: -318.635817 where: bonds (distance) C4'-P energy: -107.125 bonds (distance) P-C4' energy: -106.899 flat angles C4'-P-C4' energy: -86.785 flat angles P-C4'-P energy: -56.725 tors. eta vs tors. theta energy: 38.898 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 44 Temperature: 0.900000 Total energy: -1963.862155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1963.862155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1963.862155 (E_RNA) where: Base-Base interactions energy: -1281.909 where: short stacking energy: -536.232 Base-Backbone interact. energy: -4.551 local terms energy: -677.402745 where: bonds (distance) C4'-P energy: -132.729 bonds (distance) P-C4' energy: -141.923 flat angles C4'-P-C4' energy: -148.684 flat angles P-C4'-P energy: -96.804 tors. eta vs tors. theta energy: -157.262 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 44 Temperature: 0.950000 Total energy: -1883.182262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1883.182262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1883.182262 (E_RNA) where: Base-Base interactions energy: -1235.637 where: short stacking energy: -544.614 Base-Backbone interact. energy: -6.210 local terms energy: -641.335519 where: bonds (distance) C4'-P energy: -132.430 bonds (distance) P-C4' energy: -123.185 flat angles C4'-P-C4' energy: -147.312 flat angles P-C4'-P energy: -96.641 tors. eta vs tors. theta energy: -141.769 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 44 Temperature: 1.000000 Total energy: -1741.915837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1741.915837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1741.915837 (E_RNA) where: Base-Base interactions energy: -1155.337 where: short stacking energy: -472.898 Base-Backbone interact. energy: -3.681 local terms energy: -582.897481 where: bonds (distance) C4'-P energy: -115.574 bonds (distance) P-C4' energy: -140.155 flat angles C4'-P-C4' energy: -125.153 flat angles P-C4'-P energy: -80.926 tors. eta vs tors. theta energy: -121.089 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: 4 ===================================== Write number: 44 Temperature: 1.050000 Total energy: -1593.143461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1593.143461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1593.143461 (E_RNA) where: Base-Base interactions energy: -992.639 where: short stacking energy: -464.539 Base-Backbone interact. energy: -2.735 local terms energy: -597.768934 where: bonds (distance) C4'-P energy: -114.767 bonds (distance) P-C4' energy: -124.735 flat angles C4'-P-C4' energy: -132.450 flat angles P-C4'-P energy: -79.531 tors. eta vs tors. theta energy: -146.285 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: 5 ===================================== Write number: 44 Temperature: 1.100000 Total energy: -1459.565445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1459.565445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1459.565445 (E_RNA) where: Base-Base interactions energy: -912.459 where: short stacking energy: -430.603 Base-Backbone interact. energy: -3.533 local terms energy: -543.572666 where: bonds (distance) C4'-P energy: -118.473 bonds (distance) P-C4' energy: -114.921 flat angles C4'-P-C4' energy: -129.027 flat angles P-C4'-P energy: -80.440 tors. eta vs tors. theta energy: -100.711 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 44 Temperature: 1.150000 Total energy: -1377.463243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1377.463243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1377.463243 (E_RNA) where: Base-Base interactions energy: -878.642 where: short stacking energy: -374.521 Base-Backbone interact. energy: 2.520 local terms energy: -501.341637 where: bonds (distance) C4'-P energy: -108.675 bonds (distance) P-C4' energy: -113.820 flat angles C4'-P-C4' energy: -122.352 flat angles P-C4'-P energy: -72.811 tors. eta vs tors. theta energy: -83.683 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 44 Temperature: 1.200000 Total energy: -1134.118395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1134.118395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1134.118395 (E_RNA) where: Base-Base interactions energy: -675.937 where: short stacking energy: -327.255 Base-Backbone interact. energy: 1.498 local terms energy: -459.679535 where: bonds (distance) C4'-P energy: -117.107 bonds (distance) P-C4' energy: -112.876 flat angles C4'-P-C4' energy: -131.708 flat angles P-C4'-P energy: -55.495 tors. eta vs tors. theta energy: -42.494 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 44 Temperature: 1.250000 Total energy: -774.641609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -774.641609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -774.641609 (E_RNA) where: Base-Base interactions energy: -353.482 where: short stacking energy: -214.297 Base-Backbone interact. energy: -2.398 local terms energy: -418.761528 where: bonds (distance) C4'-P energy: -113.719 bonds (distance) P-C4' energy: -117.829 flat angles C4'-P-C4' energy: -96.218 flat angles P-C4'-P energy: -79.934 tors. eta vs tors. theta energy: -11.061 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 44 Temperature: 1.300000 Total energy: -575.851473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -575.851473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -575.851473 (E_RNA) where: Base-Base interactions energy: -234.544 where: short stacking energy: -148.135 Base-Backbone interact. energy: 3.640 local terms energy: -344.947460 where: bonds (distance) C4'-P energy: -97.297 bonds (distance) P-C4' energy: -117.613 flat angles C4'-P-C4' energy: -88.689 flat angles P-C4'-P energy: -56.125 tors. eta vs tors. theta energy: 14.777 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: 3 ===================================== Write number: 44 Temperature: 1.350000 Total energy: -521.867260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -521.867260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -521.867260 (E_RNA) where: Base-Base interactions energy: -180.312 where: short stacking energy: -115.462 Base-Backbone interact. energy: 1.777 local terms energy: -343.332393 where: bonds (distance) C4'-P energy: -85.211 bonds (distance) P-C4' energy: -121.049 flat angles C4'-P-C4' energy: -93.749 flat angles P-C4'-P energy: -72.613 tors. eta vs tors. theta energy: 29.290 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 45 Temperature: 0.900000 Total energy: -1976.154720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1976.154720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1976.154720 (E_RNA) where: Base-Base interactions energy: -1328.761 where: short stacking energy: -538.811 Base-Backbone interact. energy: 1.500 local terms energy: -648.893072 where: bonds (distance) C4'-P energy: -134.123 bonds (distance) P-C4' energy: -132.569 flat angles C4'-P-C4' energy: -129.065 flat angles P-C4'-P energy: -98.365 tors. eta vs tors. theta energy: -154.772 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 45 Temperature: 0.950000 Total energy: -1844.407869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1844.407869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1844.407869 (E_RNA) where: Base-Base interactions energy: -1195.724 where: short stacking energy: -519.025 Base-Backbone interact. energy: -3.357 local terms energy: -645.326525 where: bonds (distance) C4'-P energy: -127.691 bonds (distance) P-C4' energy: -138.777 flat angles C4'-P-C4' energy: -135.061 flat angles P-C4'-P energy: -105.688 tors. eta vs tors. theta energy: -138.110 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: 3, replica: 2 ===================================== Write number: 45 Temperature: 1.000000 Total energy: -1760.488752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1760.488752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1760.488752 (E_RNA) where: Base-Base interactions energy: -1149.016 where: short stacking energy: -525.925 Base-Backbone interact. energy: -1.567 local terms energy: -609.906552 where: bonds (distance) C4'-P energy: -113.855 bonds (distance) P-C4' energy: -121.933 flat angles C4'-P-C4' energy: -148.672 flat angles P-C4'-P energy: -85.482 tors. eta vs tors. theta energy: -139.964 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 45 Temperature: 1.050000 Total energy: -1581.912144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1581.912144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1581.912144 (E_RNA) where: Base-Base interactions energy: -1011.362 where: short stacking energy: -441.142 Base-Backbone interact. energy: -0.778 local terms energy: -569.772143 where: bonds (distance) C4'-P energy: -114.969 bonds (distance) P-C4' energy: -120.378 flat angles C4'-P-C4' energy: -129.676 flat angles P-C4'-P energy: -84.872 tors. eta vs tors. theta energy: -119.876 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 45 Temperature: 1.100000 Total energy: -1493.793243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1493.793243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1493.793243 (E_RNA) where: Base-Base interactions energy: -926.970 where: short stacking energy: -435.279 Base-Backbone interact. energy: -3.082 local terms energy: -563.741124 where: bonds (distance) C4'-P energy: -119.856 bonds (distance) P-C4' energy: -118.155 flat angles C4'-P-C4' energy: -132.312 flat angles P-C4'-P energy: -92.309 tors. eta vs tors. theta energy: -101.108 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: 10 ===================================== Write number: 45 Temperature: 1.150000 Total energy: -1409.063419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1409.063419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1409.063419 (E_RNA) where: Base-Base interactions energy: -871.375 where: short stacking energy: -369.480 Base-Backbone interact. energy: -1.160 local terms energy: -536.528074 where: bonds (distance) C4'-P energy: -120.757 bonds (distance) P-C4' energy: -122.687 flat angles C4'-P-C4' energy: -120.156 flat angles P-C4'-P energy: -88.690 tors. eta vs tors. theta energy: -84.238 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 45 Temperature: 1.200000 Total energy: -1097.267204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1097.267204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1097.267204 (E_RNA) where: Base-Base interactions energy: -635.675 where: short stacking energy: -291.950 Base-Backbone interact. energy: 1.177 local terms energy: -462.769718 where: bonds (distance) C4'-P energy: -115.285 bonds (distance) P-C4' energy: -128.484 flat angles C4'-P-C4' energy: -100.422 flat angles P-C4'-P energy: -69.597 tors. eta vs tors. theta energy: -48.982 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 45 Temperature: 1.250000 Total energy: -718.113689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -718.113689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -718.113689 (E_RNA) where: Base-Base interactions energy: -331.008 where: short stacking energy: -168.218 Base-Backbone interact. energy: 0.005 local terms energy: -387.110796 where: bonds (distance) C4'-P energy: -121.888 bonds (distance) P-C4' energy: -121.030 flat angles C4'-P-C4' energy: -97.580 flat angles P-C4'-P energy: -65.184 tors. eta vs tors. theta energy: 18.570 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 45 Temperature: 1.300000 Total energy: -557.431936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -557.431936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -557.431936 (E_RNA) where: Base-Base interactions energy: -201.437 where: short stacking energy: -141.194 Base-Backbone interact. energy: 4.556 local terms energy: -360.551375 where: bonds (distance) C4'-P energy: -106.499 bonds (distance) P-C4' energy: -124.085 flat angles C4'-P-C4' energy: -96.865 flat angles P-C4'-P energy: -62.657 tors. eta vs tors. theta energy: 29.555 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: 3 ===================================== Write number: 45 Temperature: 1.350000 Total energy: -526.601882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -526.601882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.601882 (E_RNA) where: Base-Base interactions energy: -225.624 where: short stacking energy: -154.590 Base-Backbone interact. energy: 0.212 local terms energy: -301.189690 where: bonds (distance) C4'-P energy: -104.160 bonds (distance) P-C4' energy: -96.708 flat angles C4'-P-C4' energy: -80.448 flat angles P-C4'-P energy: -49.626 tors. eta vs tors. theta energy: 29.752 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: 1, replica: 8 ===================================== Write number: 46 Temperature: 0.900000 Total energy: -1958.593364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1958.593364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1958.593364 (E_RNA) where: Base-Base interactions energy: -1301.775 where: short stacking energy: -540.153 Base-Backbone interact. energy: -4.511 local terms energy: -652.307376 where: bonds (distance) C4'-P energy: -118.993 bonds (distance) P-C4' energy: -141.064 flat angles C4'-P-C4' energy: -136.556 flat angles P-C4'-P energy: -94.176 tors. eta vs tors. theta energy: -161.519 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 46 Temperature: 0.950000 Total energy: -1817.304608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1817.304608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1817.304608 (E_RNA) where: Base-Base interactions energy: -1183.316 where: short stacking energy: -536.834 Base-Backbone interact. energy: -2.359 local terms energy: -631.629727 where: bonds (distance) C4'-P energy: -133.064 bonds (distance) P-C4' energy: -121.081 flat angles C4'-P-C4' energy: -151.003 flat angles P-C4'-P energy: -83.479 tors. eta vs tors. theta energy: -143.003 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 46 Temperature: 1.000000 Total energy: -1775.785639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1775.785639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1775.785639 (E_RNA) where: Base-Base interactions energy: -1155.430 where: short stacking energy: -476.632 Base-Backbone interact. energy: -1.981 local terms energy: -618.375220 where: bonds (distance) C4'-P energy: -129.443 bonds (distance) P-C4' energy: -127.559 flat angles C4'-P-C4' energy: -154.679 flat angles P-C4'-P energy: -80.884 tors. eta vs tors. theta energy: -125.810 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 46 Temperature: 1.050000 Total energy: -1645.282905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1645.282905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1645.282905 (E_RNA) where: Base-Base interactions energy: -1031.248 where: short stacking energy: -477.907 Base-Backbone interact. energy: -2.050 local terms energy: -611.984975 where: bonds (distance) C4'-P energy: -134.145 bonds (distance) P-C4' energy: -114.167 flat angles C4'-P-C4' energy: -144.887 flat angles P-C4'-P energy: -83.865 tors. eta vs tors. theta energy: -134.921 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 46 Temperature: 1.100000 Total energy: -1456.204970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1456.204970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1456.204970 (E_RNA) where: Base-Base interactions energy: -909.671 where: short stacking energy: -406.442 Base-Backbone interact. energy: -1.045 local terms energy: -545.489667 where: bonds (distance) C4'-P energy: -109.538 bonds (distance) P-C4' energy: -118.121 flat angles C4'-P-C4' energy: -136.324 flat angles P-C4'-P energy: -86.539 tors. eta vs tors. theta energy: -94.968 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: 5 ===================================== Write number: 46 Temperature: 1.150000 Total energy: -1432.085858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1432.085858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1432.085858 (E_RNA) where: Base-Base interactions energy: -903.986 where: short stacking energy: -416.180 Base-Backbone interact. energy: -1.373 local terms energy: -526.726809 where: bonds (distance) C4'-P energy: -110.577 bonds (distance) P-C4' energy: -112.375 flat angles C4'-P-C4' energy: -122.416 flat angles P-C4'-P energy: -87.961 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: 7, replica: 7 ===================================== Write number: 46 Temperature: 1.200000 Total energy: -1045.902798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1045.902798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1045.902798 (E_RNA) where: Base-Base interactions energy: -609.649 where: short stacking energy: -295.749 Base-Backbone interact. energy: 4.354 local terms energy: -440.608007 where: bonds (distance) C4'-P energy: -91.402 bonds (distance) P-C4' energy: -123.203 flat angles C4'-P-C4' energy: -119.211 flat angles P-C4'-P energy: -68.457 tors. eta vs tors. theta energy: -38.335 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 46 Temperature: 1.250000 Total energy: -699.693372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -699.693372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -699.693372 (E_RNA) where: Base-Base interactions energy: -305.864 where: short stacking energy: -162.342 Base-Backbone interact. energy: -3.744 local terms energy: -390.084939 where: bonds (distance) C4'-P energy: -101.261 bonds (distance) P-C4' energy: -131.344 flat angles C4'-P-C4' energy: -107.739 flat angles P-C4'-P energy: -66.931 tors. eta vs tors. theta energy: 17.190 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: 9 ===================================== Write number: 46 Temperature: 1.300000 Total energy: -530.774143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -530.774143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -530.774143 (E_RNA) where: Base-Base interactions energy: -199.779 where: short stacking energy: -122.155 Base-Backbone interact. energy: 4.442 local terms energy: -335.437390 where: bonds (distance) C4'-P energy: -117.111 bonds (distance) P-C4' energy: -108.679 flat angles C4'-P-C4' energy: -100.909 flat angles P-C4'-P energy: -36.754 tors. eta vs tors. theta energy: 28.016 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 46 Temperature: 1.350000 Total energy: -520.328323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -520.328323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -520.328323 (E_RNA) where: Base-Base interactions energy: -168.254 where: short stacking energy: -124.506 Base-Backbone interact. energy: -0.525 local terms energy: -351.549855 where: bonds (distance) C4'-P energy: -102.755 bonds (distance) P-C4' energy: -119.333 flat angles C4'-P-C4' energy: -101.726 flat angles P-C4'-P energy: -47.176 tors. eta vs tors. theta energy: 19.440 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 47 Temperature: 0.900000 Total energy: -1932.777979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1932.777979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1932.777979 (E_RNA) where: Base-Base interactions energy: -1278.935 where: short stacking energy: -530.618 Base-Backbone interact. energy: 1.781 local terms energy: -655.623490 where: bonds (distance) C4'-P energy: -130.275 bonds (distance) P-C4' energy: -142.479 flat angles C4'-P-C4' energy: -149.484 flat angles P-C4'-P energy: -80.341 tors. eta vs tors. theta energy: -153.043 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 47 Temperature: 0.950000 Total energy: -1845.420068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1845.420068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1845.420068 (E_RNA) where: Base-Base interactions energy: -1220.230 where: short stacking energy: -535.273 Base-Backbone interact. energy: 2.150 local terms energy: -627.340810 where: bonds (distance) C4'-P energy: -124.594 bonds (distance) P-C4' energy: -121.885 flat angles C4'-P-C4' energy: -137.977 flat angles P-C4'-P energy: -95.555 tors. eta vs tors. theta energy: -147.330 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 47 Temperature: 1.000000 Total energy: -1729.154989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1729.154989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1729.154989 (E_RNA) where: Base-Base interactions energy: -1137.197 where: short stacking energy: -493.919 Base-Backbone interact. energy: -0.657 local terms energy: -591.301815 where: bonds (distance) C4'-P energy: -136.479 bonds (distance) P-C4' energy: -122.168 flat angles C4'-P-C4' energy: -127.503 flat angles P-C4'-P energy: -74.698 tors. eta vs tors. theta energy: -130.454 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 47 Temperature: 1.050000 Total energy: -1637.581927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1637.581927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1637.581927 (E_RNA) where: Base-Base interactions energy: -1045.433 where: short stacking energy: -487.439 Base-Backbone interact. energy: -2.259 local terms energy: -589.890457 where: bonds (distance) C4'-P energy: -117.953 bonds (distance) P-C4' energy: -113.833 flat angles C4'-P-C4' energy: -134.331 flat angles P-C4'-P energy: -86.348 tors. eta vs tors. theta energy: -137.425 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 47 Temperature: 1.100000 Total energy: -1444.295973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1444.295973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1444.295973 (E_RNA) where: Base-Base interactions energy: -913.878 where: short stacking energy: -387.149 Base-Backbone interact. energy: -4.456 local terms energy: -525.962224 where: bonds (distance) C4'-P energy: -133.858 bonds (distance) P-C4' energy: -105.749 flat angles C4'-P-C4' energy: -131.117 flat angles P-C4'-P energy: -74.940 tors. eta vs tors. theta energy: -80.298 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 47 Temperature: 1.150000 Total energy: -1431.441266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1431.441266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1431.441266 (E_RNA) where: Base-Base interactions energy: -931.542 where: short stacking energy: -418.055 Base-Backbone interact. energy: 1.125 local terms energy: -501.024014 where: bonds (distance) C4'-P energy: -84.130 bonds (distance) P-C4' energy: -117.806 flat angles C4'-P-C4' energy: -117.200 flat angles P-C4'-P energy: -80.529 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: 7, replica: 7 ===================================== Write number: 47 Temperature: 1.200000 Total energy: -1203.410467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1203.410467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1203.410467 (E_RNA) where: Base-Base interactions energy: -724.885 where: short stacking energy: -328.343 Base-Backbone interact. energy: -0.033 local terms energy: -478.492526 where: bonds (distance) C4'-P energy: -124.131 bonds (distance) P-C4' energy: -108.266 flat angles C4'-P-C4' energy: -117.070 flat angles P-C4'-P energy: -74.410 tors. eta vs tors. theta energy: -54.614 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 47 Temperature: 1.250000 Total energy: -700.520311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -700.520311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -700.520311 (E_RNA) where: Base-Base interactions energy: -346.645 where: short stacking energy: -172.720 Base-Backbone interact. energy: -4.095 local terms energy: -349.780759 where: bonds (distance) C4'-P energy: -122.342 bonds (distance) P-C4' energy: -102.286 flat angles C4'-P-C4' energy: -89.184 flat angles P-C4'-P energy: -47.656 tors. eta vs tors. theta energy: 11.687 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: 9 ===================================== Write number: 47 Temperature: 1.300000 Total energy: -542.450101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -542.450101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -542.450101 (E_RNA) where: Base-Base interactions energy: -167.102 where: short stacking energy: -132.783 Base-Backbone interact. energy: 3.354 local terms energy: -378.701361 where: bonds (distance) C4'-P energy: -114.412 bonds (distance) P-C4' energy: -118.050 flat angles C4'-P-C4' energy: -113.034 flat angles P-C4'-P energy: -38.260 tors. eta vs tors. theta energy: 5.055 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 47 Temperature: 1.350000 Total energy: -486.746551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -486.746551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -486.746551 (E_RNA) where: Base-Base interactions energy: -165.498 where: short stacking energy: -105.413 Base-Backbone interact. energy: 4.060 local terms energy: -325.308216 where: bonds (distance) C4'-P energy: -91.916 bonds (distance) P-C4' energy: -113.809 flat angles C4'-P-C4' energy: -87.042 flat angles P-C4'-P energy: -64.707 tors. eta vs tors. theta energy: 32.166 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: 8 ===================================== Write number: 48 Temperature: 0.900000 Total energy: -1917.108049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1917.108049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1917.108049 (E_RNA) where: Base-Base interactions energy: -1258.976 where: short stacking energy: -516.435 Base-Backbone interact. energy: 3.168 local terms energy: -661.300025 where: bonds (distance) C4'-P energy: -134.029 bonds (distance) P-C4' energy: -152.689 flat angles C4'-P-C4' energy: -152.835 flat angles P-C4'-P energy: -78.051 tors. eta vs tors. theta energy: -143.696 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 48 Temperature: 0.950000 Total energy: -1863.673696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1863.673696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1863.673696 (E_RNA) where: Base-Base interactions energy: -1212.580 where: short stacking energy: -548.887 Base-Backbone interact. energy: -1.157 local terms energy: -649.937056 where: bonds (distance) C4'-P energy: -135.128 bonds (distance) P-C4' energy: -129.004 flat angles C4'-P-C4' energy: -134.781 flat angles P-C4'-P energy: -100.124 tors. eta vs tors. theta energy: -150.901 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: 2 ===================================== Write number: 48 Temperature: 1.000000 Total energy: -1752.531494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1752.531494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1752.531494 (E_RNA) where: Base-Base interactions energy: -1173.833 where: short stacking energy: -497.881 Base-Backbone interact. energy: -3.594 local terms energy: -575.104910 where: bonds (distance) C4'-P energy: -110.430 bonds (distance) P-C4' energy: -123.775 flat angles C4'-P-C4' energy: -130.115 flat angles P-C4'-P energy: -80.217 tors. eta vs tors. theta energy: -130.569 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 48 Temperature: 1.050000 Total energy: -1650.813592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1650.813592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1650.813592 (E_RNA) where: Base-Base interactions energy: -1055.960 where: short stacking energy: -484.003 Base-Backbone interact. energy: -3.867 local terms energy: -590.986100 where: bonds (distance) C4'-P energy: -111.273 bonds (distance) P-C4' energy: -111.405 flat angles C4'-P-C4' energy: -123.427 flat angles P-C4'-P energy: -95.327 tors. eta vs tors. theta energy: -149.554 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 48 Temperature: 1.100000 Total energy: -1551.575442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1551.575442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1551.575442 (E_RNA) where: Base-Base interactions energy: -987.714 where: short stacking energy: -414.091 Base-Backbone interact. energy: -0.809 local terms energy: -563.053163 where: bonds (distance) C4'-P energy: -131.807 bonds (distance) P-C4' energy: -115.645 flat angles C4'-P-C4' energy: -129.379 flat angles P-C4'-P energy: -74.808 tors. eta vs tors. theta energy: -111.415 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 48 Temperature: 1.150000 Total energy: -1471.663308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1471.663308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1471.663308 (E_RNA) where: Base-Base interactions energy: -948.334 where: short stacking energy: -425.797 Base-Backbone interact. energy: -2.023 local terms energy: -521.306634 where: bonds (distance) C4'-P energy: -121.150 bonds (distance) P-C4' energy: -104.874 flat angles C4'-P-C4' energy: -123.884 flat angles P-C4'-P energy: -67.948 tors. eta vs tors. theta energy: -103.451 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: 7 ===================================== Write number: 48 Temperature: 1.200000 Total energy: -1144.664237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1144.664237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1144.664237 (E_RNA) where: Base-Base interactions energy: -653.127 where: short stacking energy: -313.924 Base-Backbone interact. energy: -2.070 local terms energy: -489.467690 where: bonds (distance) C4'-P energy: -116.756 bonds (distance) P-C4' energy: -116.705 flat angles C4'-P-C4' energy: -118.470 flat angles P-C4'-P energy: -67.462 tors. eta vs tors. theta energy: -70.075 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 48 Temperature: 1.250000 Total energy: -754.321934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -754.321934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -754.321934 (E_RNA) where: Base-Base interactions energy: -378.564 where: short stacking energy: -199.827 Base-Backbone interact. energy: -2.282 local terms energy: -373.476493 where: bonds (distance) C4'-P energy: -103.687 bonds (distance) P-C4' energy: -91.094 flat angles C4'-P-C4' energy: -90.187 flat angles P-C4'-P energy: -76.414 tors. eta vs tors. theta energy: -12.095 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 48 Temperature: 1.300000 Total energy: -563.777189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -563.777189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -563.777189 (E_RNA) where: Base-Base interactions energy: -200.427 where: short stacking energy: -153.462 Base-Backbone interact. energy: -2.273 local terms energy: -361.076973 where: bonds (distance) C4'-P energy: -112.297 bonds (distance) P-C4' energy: -118.093 flat angles C4'-P-C4' energy: -95.245 flat angles P-C4'-P energy: -51.601 tors. eta vs tors. theta energy: 16.158 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: 3 ===================================== Write number: 48 Temperature: 1.350000 Total energy: -479.315253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -479.315253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -479.315253 (E_RNA) where: Base-Base interactions energy: -152.066 where: short stacking energy: -131.017 Base-Backbone interact. energy: -0.815 local terms energy: -326.434083 where: bonds (distance) C4'-P energy: -111.079 bonds (distance) P-C4' energy: -106.115 flat angles C4'-P-C4' energy: -75.190 flat angles P-C4'-P energy: -60.146 tors. eta vs tors. theta energy: 26.097 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 49 Temperature: 0.900000 Total energy: -1923.216229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1923.216229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1923.216229 (E_RNA) where: Base-Base interactions energy: -1260.171 where: short stacking energy: -562.885 Base-Backbone interact. energy: -1.857 local terms energy: -661.187975 where: bonds (distance) C4'-P energy: -140.943 bonds (distance) P-C4' energy: -143.532 flat angles C4'-P-C4' energy: -136.461 flat angles P-C4'-P energy: -79.531 tors. eta vs tors. theta energy: -160.721 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 49 Temperature: 0.950000 Total energy: -1855.036917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1855.036917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1855.036917 (E_RNA) where: Base-Base interactions energy: -1233.226 where: short stacking energy: -549.994 Base-Backbone interact. energy: -0.577 local terms energy: -621.233608 where: bonds (distance) C4'-P energy: -122.387 bonds (distance) P-C4' energy: -127.771 flat angles C4'-P-C4' energy: -134.208 flat angles P-C4'-P energy: -88.596 tors. eta vs tors. theta energy: -148.272 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: 2 ===================================== Write number: 49 Temperature: 1.000000 Total energy: -1730.345491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1730.345491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1730.345491 (E_RNA) where: Base-Base interactions energy: -1114.990 where: short stacking energy: -496.973 Base-Backbone interact. energy: -3.138 local terms energy: -612.217138 where: bonds (distance) C4'-P energy: -122.454 bonds (distance) P-C4' energy: -133.240 flat angles C4'-P-C4' energy: -134.686 flat angles P-C4'-P energy: -84.249 tors. eta vs tors. theta energy: -137.588 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: 4 ===================================== Write number: 49 Temperature: 1.050000 Total energy: -1697.900138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1697.900138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1697.900138 (E_RNA) where: Base-Base interactions energy: -1093.677 where: short stacking energy: -511.987 Base-Backbone interact. energy: 4.073 local terms energy: -608.295820 where: bonds (distance) C4'-P energy: -114.544 bonds (distance) P-C4' energy: -112.170 flat angles C4'-P-C4' energy: -145.860 flat angles P-C4'-P energy: -83.408 tors. eta vs tors. theta energy: -152.313 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 49 Temperature: 1.100000 Total energy: -1542.132291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1542.132291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1542.132291 (E_RNA) where: Base-Base interactions energy: -944.481 where: short stacking energy: -444.261 Base-Backbone interact. energy: -6.232 local terms energy: -591.419630 where: bonds (distance) C4'-P energy: -121.418 bonds (distance) P-C4' energy: -122.212 flat angles C4'-P-C4' energy: -127.155 flat angles P-C4'-P energy: -77.545 tors. eta vs tors. theta energy: -143.090 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 49 Temperature: 1.150000 Total energy: -1474.268798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1474.268798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1474.268798 (E_RNA) where: Base-Base interactions energy: -945.561 where: short stacking energy: -419.782 Base-Backbone interact. energy: -6.066 local terms energy: -522.641383 where: bonds (distance) C4'-P energy: -103.214 bonds (distance) P-C4' energy: -126.457 flat angles C4'-P-C4' energy: -116.232 flat angles P-C4'-P energy: -67.602 tors. eta vs tors. theta energy: -109.136 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: 7 ===================================== Write number: 49 Temperature: 1.200000 Total energy: -1161.075185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1161.075185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1161.075185 (E_RNA) where: Base-Base interactions energy: -700.646 where: short stacking energy: -350.864 Base-Backbone interact. energy: 0.061 local terms energy: -460.489324 where: bonds (distance) C4'-P energy: -114.909 bonds (distance) P-C4' energy: -110.448 flat angles C4'-P-C4' energy: -112.063 flat angles P-C4'-P energy: -62.611 tors. eta vs tors. theta energy: -60.459 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: 1 ===================================== Write number: 49 Temperature: 1.250000 Total energy: -740.110165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -740.110165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -740.110165 (E_RNA) where: Base-Base interactions energy: -337.045 where: short stacking energy: -220.406 Base-Backbone interact. energy: 1.051 local terms energy: -404.116223 where: bonds (distance) C4'-P energy: -99.162 bonds (distance) P-C4' energy: -137.288 flat angles C4'-P-C4' energy: -102.202 flat angles P-C4'-P energy: -68.623 tors. eta vs tors. theta energy: 3.158 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: 9 ===================================== Write number: 49 Temperature: 1.300000 Total energy: -575.246629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -575.246629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -575.246629 (E_RNA) where: Base-Base interactions energy: -215.975 where: short stacking energy: -145.857 Base-Backbone interact. energy: 4.270 local terms energy: -363.541791 where: bonds (distance) C4'-P energy: -118.408 bonds (distance) P-C4' energy: -125.658 flat angles C4'-P-C4' energy: -85.373 flat angles P-C4'-P energy: -53.112 tors. eta vs tors. theta energy: 19.008 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 49 Temperature: 1.350000 Total energy: -541.997020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -541.997020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -541.997020 (E_RNA) where: Base-Base interactions energy: -204.436 where: short stacking energy: -141.822 Base-Backbone interact. energy: 3.351 local terms energy: -341.288172 where: bonds (distance) C4'-P energy: -115.633 bonds (distance) P-C4' energy: -109.134 flat angles C4'-P-C4' energy: -87.030 flat angles P-C4'-P energy: -53.949 tors. eta vs tors. theta energy: 24.458 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.376 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 50 Temperature: 0.900000 Total energy: -1917.302116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1917.302116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1917.302116 (E_RNA) where: Base-Base interactions energy: -1272.532 where: short stacking energy: -548.515 Base-Backbone interact. energy: -2.872 local terms energy: -641.898952 where: bonds (distance) C4'-P energy: -129.445 bonds (distance) P-C4' energy: -130.339 flat angles C4'-P-C4' energy: -140.309 flat angles P-C4'-P energy: -86.130 tors. eta vs tors. theta energy: -155.676 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: 6 ===================================== Write number: 50 Temperature: 0.950000 Total energy: -1861.249182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1861.249182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1861.249182 (E_RNA) where: Base-Base interactions energy: -1210.540 where: short stacking energy: -564.679 Base-Backbone interact. energy: -0.402 local terms energy: -650.306777 where: bonds (distance) C4'-P energy: -134.354 bonds (distance) P-C4' energy: -126.990 flat angles C4'-P-C4' energy: -143.452 flat angles P-C4'-P energy: -95.111 tors. eta vs tors. theta energy: -150.400 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: 2 ===================================== Write number: 50 Temperature: 1.000000 Total energy: -1774.831405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1774.831405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1774.831405 (E_RNA) where: Base-Base interactions energy: -1150.022 where: short stacking energy: -487.408 Base-Backbone interact. energy: -4.739 local terms energy: -620.070530 where: bonds (distance) C4'-P energy: -125.911 bonds (distance) P-C4' energy: -127.405 flat angles C4'-P-C4' energy: -139.007 flat angles P-C4'-P energy: -85.871 tors. eta vs tors. theta energy: -141.876 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: 4, replica: 4 ===================================== Write number: 50 Temperature: 1.050000 Total energy: -1663.942232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1663.942232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1663.942232 (E_RNA) where: Base-Base interactions energy: -1029.080 where: short stacking energy: -449.030 Base-Backbone interact. energy: 2.559 local terms energy: -637.420431 where: bonds (distance) C4'-P energy: -124.018 bonds (distance) P-C4' energy: -139.344 flat angles C4'-P-C4' energy: -139.966 flat angles P-C4'-P energy: -92.654 tors. eta vs tors. theta energy: -141.439 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 50 Temperature: 1.100000 Total energy: -1522.979424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1522.979424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1522.979424 (E_RNA) where: Base-Base interactions energy: -978.566 where: short stacking energy: -425.959 Base-Backbone interact. energy: -2.952 local terms energy: -541.461310 where: bonds (distance) C4'-P energy: -118.170 bonds (distance) P-C4' energy: -134.938 flat angles C4'-P-C4' energy: -126.216 flat angles P-C4'-P energy: -69.809 tors. eta vs tors. theta energy: -92.327 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 50 Temperature: 1.150000 Total energy: -1459.024091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1459.024091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1459.024091 (E_RNA) where: Base-Base interactions energy: -912.224 where: short stacking energy: -394.397 Base-Backbone interact. energy: 1.796 local terms energy: -548.597058 where: bonds (distance) C4'-P energy: -116.300 bonds (distance) P-C4' energy: -127.466 flat angles C4'-P-C4' energy: -125.306 flat angles P-C4'-P energy: -81.344 tors. eta vs tors. theta energy: -98.180 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: 50 Temperature: 1.200000 Total energy: -1154.886186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1154.886186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1154.886186 (E_RNA) where: Base-Base interactions energy: -653.753 where: short stacking energy: -306.484 Base-Backbone interact. energy: -2.624 local terms energy: -498.508740 where: bonds (distance) C4'-P energy: -123.204 bonds (distance) P-C4' energy: -131.783 flat angles C4'-P-C4' energy: -107.042 flat angles P-C4'-P energy: -80.100 tors. eta vs tors. theta energy: -56.380 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 50 Temperature: 1.250000 Total energy: -771.252475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -771.252475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -771.252475 (E_RNA) where: Base-Base interactions energy: -397.250 where: short stacking energy: -198.830 Base-Backbone interact. energy: 4.817 local terms energy: -378.820345 where: bonds (distance) C4'-P energy: -119.379 bonds (distance) P-C4' energy: -108.729 flat angles C4'-P-C4' energy: -97.039 flat angles P-C4'-P energy: -54.616 tors. eta vs tors. theta energy: 0.944 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: 3 ===================================== Write number: 50 Temperature: 1.300000 Total energy: -529.987490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -529.987490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -529.987490 (E_RNA) where: Base-Base interactions energy: -170.111 where: short stacking energy: -118.590 Base-Backbone interact. energy: 1.492 local terms energy: -361.368302 where: bonds (distance) C4'-P energy: -119.764 bonds (distance) P-C4' energy: -102.474 flat angles C4'-P-C4' energy: -100.945 flat angles P-C4'-P energy: -56.383 tors. eta vs tors. theta energy: 18.198 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: 9 ===================================== Write number: 50 Temperature: 1.350000 Total energy: -500.325979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -500.325979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -500.325979 (E_RNA) where: Base-Base interactions energy: -181.289 where: short stacking energy: -138.780 Base-Backbone interact. energy: 7.217 local terms energy: -326.253575 where: bonds (distance) C4'-P energy: -91.787 bonds (distance) P-C4' energy: -104.705 flat angles C4'-P-C4' energy: -94.508 flat angles P-C4'-P energy: -60.836 tors. eta vs tors. theta energy: 25.582 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 51 Temperature: 0.900000 Total energy: -1939.410256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1939.410256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1939.410256 (E_RNA) where: Base-Base interactions energy: -1279.409 where: short stacking energy: -528.269 Base-Backbone interact. energy: -5.722 local terms energy: -654.278972 where: bonds (distance) C4'-P energy: -136.417 bonds (distance) P-C4' energy: -133.306 flat angles C4'-P-C4' energy: -142.443 flat angles P-C4'-P energy: -93.410 tors. eta vs tors. theta energy: -148.702 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: 51 Temperature: 0.950000 Total energy: -1894.447353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1894.447353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1894.447353 (E_RNA) where: Base-Base interactions energy: -1238.403 where: short stacking energy: -545.802 Base-Backbone interact. energy: -5.069 local terms energy: -650.975424 where: bonds (distance) C4'-P energy: -129.206 bonds (distance) P-C4' energy: -120.446 flat angles C4'-P-C4' energy: -151.471 flat angles P-C4'-P energy: -97.649 tors. eta vs tors. theta energy: -152.203 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: 2 ===================================== Write number: 51 Temperature: 1.000000 Total energy: -1766.899886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1766.899886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1766.899886 (E_RNA) where: Base-Base interactions energy: -1171.587 where: short stacking energy: -501.378 Base-Backbone interact. energy: -3.245 local terms energy: -592.067772 where: bonds (distance) C4'-P energy: -112.996 bonds (distance) P-C4' energy: -125.744 flat angles C4'-P-C4' energy: -131.248 flat angles P-C4'-P energy: -78.893 tors. eta vs tors. theta energy: -143.188 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 51 Temperature: 1.050000 Total energy: -1666.300601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1666.300601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1666.300601 (E_RNA) where: Base-Base interactions energy: -1081.892 where: short stacking energy: -491.083 Base-Backbone interact. energy: -2.135 local terms energy: -582.273464 where: bonds (distance) C4'-P energy: -118.439 bonds (distance) P-C4' energy: -124.401 flat angles C4'-P-C4' energy: -118.505 flat angles P-C4'-P energy: -71.687 tors. eta vs tors. theta energy: -149.242 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: 5, replica: 10 ===================================== Write number: 51 Temperature: 1.100000 Total energy: -1546.657832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1546.657832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1546.657832 (E_RNA) where: Base-Base interactions energy: -967.371 where: short stacking energy: -438.392 Base-Backbone interact. energy: -2.187 local terms energy: -577.099340 where: bonds (distance) C4'-P energy: -124.845 bonds (distance) P-C4' energy: -130.179 flat angles C4'-P-C4' energy: -125.799 flat angles P-C4'-P energy: -79.303 tors. eta vs tors. theta energy: -116.974 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: 5 ===================================== Write number: 51 Temperature: 1.150000 Total energy: -1495.051308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1495.051308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1495.051308 (E_RNA) where: Base-Base interactions energy: -961.579 where: short stacking energy: -415.450 Base-Backbone interact. energy: -0.327 local terms energy: -533.145125 where: bonds (distance) C4'-P energy: -110.497 bonds (distance) P-C4' energy: -128.385 flat angles C4'-P-C4' energy: -105.159 flat angles P-C4'-P energy: -81.420 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: 7, replica: 7 ===================================== Write number: 51 Temperature: 1.200000 Total energy: -1064.897735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1064.897735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1064.897735 (E_RNA) where: Base-Base interactions energy: -592.128 where: short stacking energy: -275.821 Base-Backbone interact. energy: -1.569 local terms energy: -471.200271 where: bonds (distance) C4'-P energy: -115.597 bonds (distance) P-C4' energy: -126.195 flat angles C4'-P-C4' energy: -92.406 flat angles P-C4'-P energy: -89.828 tors. eta vs tors. theta energy: -47.174 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 51 Temperature: 1.250000 Total energy: -797.252137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -797.252137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -797.252137 (E_RNA) where: Base-Base interactions energy: -427.842 where: short stacking energy: -239.059 Base-Backbone interact. energy: 1.977 local terms energy: -371.387802 where: bonds (distance) C4'-P energy: -108.363 bonds (distance) P-C4' energy: -127.549 flat angles C4'-P-C4' energy: -69.374 flat angles P-C4'-P energy: -47.145 tors. eta vs tors. theta energy: -18.957 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 51 Temperature: 1.300000 Total energy: -509.999771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -509.999771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -509.999771 (E_RNA) where: Base-Base interactions energy: -173.848 where: short stacking energy: -136.164 Base-Backbone interact. energy: -0.841 local terms energy: -335.310334 where: bonds (distance) C4'-P energy: -104.206 bonds (distance) P-C4' energy: -116.182 flat angles C4'-P-C4' energy: -95.072 flat angles P-C4'-P energy: -55.212 tors. eta vs tors. theta energy: 35.361 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 51 Temperature: 1.350000 Total energy: -482.544982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -482.544982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -482.544982 (E_RNA) where: Base-Base interactions energy: -163.954 where: short stacking energy: -134.560 Base-Backbone interact. energy: -3.319 local terms energy: -315.272577 where: bonds (distance) C4'-P energy: -101.661 bonds (distance) P-C4' energy: -102.152 flat angles C4'-P-C4' energy: -91.103 flat angles P-C4'-P energy: -48.542 tors. eta vs tors. theta energy: 28.186 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 52 Temperature: 0.900000 Total energy: -1961.799675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1961.799675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1961.799675 (E_RNA) where: Base-Base interactions energy: -1297.173 where: short stacking energy: -594.632 Base-Backbone interact. energy: -6.422 local terms energy: -658.204879 where: bonds (distance) C4'-P energy: -127.956 bonds (distance) P-C4' energy: -133.072 flat angles C4'-P-C4' energy: -136.131 flat angles P-C4'-P energy: -90.976 tors. eta vs tors. theta energy: -170.071 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 52 Temperature: 0.950000 Total energy: -1875.845414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1875.845414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1875.845414 (E_RNA) where: Base-Base interactions energy: -1241.153 where: short stacking energy: -517.159 Base-Backbone interact. energy: -1.883 local terms energy: -632.809281 where: bonds (distance) C4'-P energy: -125.000 bonds (distance) P-C4' energy: -138.482 flat angles C4'-P-C4' energy: -140.698 flat angles P-C4'-P energy: -89.182 tors. eta vs tors. theta energy: -139.448 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: 3, replica: 2 ===================================== Write number: 52 Temperature: 1.000000 Total energy: -1794.700213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1794.700213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1794.700213 (E_RNA) where: Base-Base interactions energy: -1152.172 where: short stacking energy: -526.512 Base-Backbone interact. energy: -2.367 local terms energy: -640.161761 where: bonds (distance) C4'-P energy: -130.378 bonds (distance) P-C4' energy: -131.635 flat angles C4'-P-C4' energy: -140.354 flat angles P-C4'-P energy: -97.901 tors. eta vs tors. theta energy: -139.894 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 52 Temperature: 1.050000 Total energy: -1652.290634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1652.290634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1652.290634 (E_RNA) where: Base-Base interactions energy: -1084.589 where: short stacking energy: -458.300 Base-Backbone interact. energy: 2.859 local terms energy: -570.560974 where: bonds (distance) C4'-P energy: -113.919 bonds (distance) P-C4' energy: -127.755 flat angles C4'-P-C4' energy: -115.121 flat angles P-C4'-P energy: -88.106 tors. eta vs tors. theta energy: -125.659 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: 5, replica: 5 ===================================== Write number: 52 Temperature: 1.100000 Total energy: -1542.501170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1542.501170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1542.501170 (E_RNA) where: Base-Base interactions energy: -961.188 where: short stacking energy: -438.365 Base-Backbone interact. energy: -1.331 local terms energy: -579.982141 where: bonds (distance) C4'-P energy: -111.009 bonds (distance) P-C4' energy: -130.116 flat angles C4'-P-C4' energy: -136.481 flat angles P-C4'-P energy: -83.488 tors. eta vs tors. theta energy: -118.888 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: 10 ===================================== Write number: 52 Temperature: 1.150000 Total energy: -1495.183261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1495.183261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1495.183261 (E_RNA) where: Base-Base interactions energy: -917.447 where: short stacking energy: -405.054 Base-Backbone interact. energy: -3.630 local terms energy: -574.106195 where: bonds (distance) C4'-P energy: -130.455 bonds (distance) P-C4' energy: -125.144 flat angles C4'-P-C4' energy: -130.390 flat angles P-C4'-P energy: -73.798 tors. eta vs tors. theta energy: -114.319 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: 52 Temperature: 1.200000 Total energy: -1129.681829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1129.681829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1129.681829 (E_RNA) where: Base-Base interactions energy: -668.081 where: short stacking energy: -303.088 Base-Backbone interact. energy: 1.079 local terms energy: -462.680453 where: bonds (distance) C4'-P energy: -110.230 bonds (distance) P-C4' energy: -121.695 flat angles C4'-P-C4' energy: -112.803 flat angles P-C4'-P energy: -73.942 tors. eta vs tors. theta energy: -44.010 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 52 Temperature: 1.250000 Total energy: -780.357539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -780.357539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -780.357539 (E_RNA) where: Base-Base interactions energy: -374.672 where: short stacking energy: -192.480 Base-Backbone interact. energy: 0.884 local terms energy: -406.570004 where: bonds (distance) C4'-P energy: -115.573 bonds (distance) P-C4' energy: -115.766 flat angles C4'-P-C4' energy: -92.848 flat angles P-C4'-P energy: -78.996 tors. eta vs tors. theta energy: -3.388 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: 9 ===================================== Write number: 52 Temperature: 1.300000 Total energy: -532.543432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -532.543432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -532.543432 (E_RNA) where: Base-Base interactions energy: -191.090 where: short stacking energy: -146.484 Base-Backbone interact. energy: 0.694 local terms energy: -342.575184 where: bonds (distance) C4'-P energy: -111.464 bonds (distance) P-C4' energy: -117.115 flat angles C4'-P-C4' energy: -85.360 flat angles P-C4'-P energy: -54.778 tors. eta vs tors. theta energy: 26.141 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.428 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 52 Temperature: 1.350000 Total energy: -509.579888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -509.579888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -509.579888 (E_RNA) where: Base-Base interactions energy: -167.122 where: short stacking energy: -125.481 Base-Backbone interact. energy: 0.973 local terms energy: -343.430793 where: bonds (distance) C4'-P energy: -107.912 bonds (distance) P-C4' energy: -110.375 flat angles C4'-P-C4' energy: -84.632 flat angles P-C4'-P energy: -68.614 tors. eta vs tors. theta energy: 28.102 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: 6 ===================================== Write number: 53 Temperature: 0.900000 Total energy: -1952.766275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1952.766275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1952.766275 (E_RNA) where: Base-Base interactions energy: -1279.097 where: short stacking energy: -579.740 Base-Backbone interact. energy: -3.361 local terms energy: -670.308515 where: bonds (distance) C4'-P energy: -136.758 bonds (distance) P-C4' energy: -142.146 flat angles C4'-P-C4' energy: -155.998 flat angles P-C4'-P energy: -92.194 tors. eta vs tors. theta energy: -143.213 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 53 Temperature: 0.950000 Total energy: -1898.477676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1898.477676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1898.477676 (E_RNA) where: Base-Base interactions energy: -1256.605 where: short stacking energy: -498.822 Base-Backbone interact. energy: -0.888 local terms energy: -640.984473 where: bonds (distance) C4'-P energy: -126.925 bonds (distance) P-C4' energy: -140.778 flat angles C4'-P-C4' energy: -139.766 flat angles P-C4'-P energy: -82.654 tors. eta vs tors. theta energy: -150.860 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: 2 ===================================== Write number: 53 Temperature: 1.000000 Total energy: -1804.616048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1804.616048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1804.616048 (E_RNA) where: Base-Base interactions energy: -1161.905 where: short stacking energy: -505.718 Base-Backbone interact. energy: 1.364 local terms energy: -644.075126 where: bonds (distance) C4'-P energy: -117.554 bonds (distance) P-C4' energy: -127.554 flat angles C4'-P-C4' energy: -151.797 flat angles P-C4'-P energy: -89.457 tors. eta vs tors. theta energy: -157.713 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 53 Temperature: 1.050000 Total energy: -1709.993657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1709.993657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1709.993657 (E_RNA) where: Base-Base interactions energy: -1128.001 where: short stacking energy: -502.031 Base-Backbone interact. energy: -3.620 local terms energy: -578.372624 where: bonds (distance) C4'-P energy: -109.368 bonds (distance) P-C4' energy: -97.919 flat angles C4'-P-C4' energy: -150.900 flat angles P-C4'-P energy: -78.279 tors. eta vs tors. theta energy: -141.906 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: 5 ===================================== Write number: 53 Temperature: 1.100000 Total energy: -1548.093377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1548.093377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1548.093377 (E_RNA) where: Base-Base interactions energy: -986.914 where: short stacking energy: -449.396 Base-Backbone interact. energy: -3.792 local terms energy: -557.387389 where: bonds (distance) C4'-P energy: -124.699 bonds (distance) P-C4' energy: -115.523 flat angles C4'-P-C4' energy: -133.381 flat angles P-C4'-P energy: -77.096 tors. eta vs tors. theta energy: -106.689 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 53 Temperature: 1.150000 Total energy: -1433.683432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1433.683432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1433.683432 (E_RNA) where: Base-Base interactions energy: -933.696 where: short stacking energy: -417.670 Base-Backbone interact. energy: -1.637 local terms energy: -498.351244 where: bonds (distance) C4'-P energy: -112.007 bonds (distance) P-C4' energy: -109.455 flat angles C4'-P-C4' energy: -124.612 flat angles P-C4'-P energy: -63.146 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: 53 Temperature: 1.200000 Total energy: -1131.189821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1131.189821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1131.189821 (E_RNA) where: Base-Base interactions energy: -672.107 where: short stacking energy: -283.987 Base-Backbone interact. energy: -0.779 local terms energy: -458.303995 where: bonds (distance) C4'-P energy: -115.482 bonds (distance) P-C4' energy: -119.708 flat angles C4'-P-C4' energy: -115.012 flat angles P-C4'-P energy: -68.415 tors. eta vs tors. theta energy: -39.688 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 53 Temperature: 1.250000 Total energy: -697.080940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -697.080940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -697.080940 (E_RNA) where: Base-Base interactions energy: -329.688 where: short stacking energy: -178.967 Base-Backbone interact. energy: -3.430 local terms energy: -363.962961 where: bonds (distance) C4'-P energy: -116.740 bonds (distance) P-C4' energy: -91.684 flat angles C4'-P-C4' energy: -91.634 flat angles P-C4'-P energy: -59.059 tors. eta vs tors. theta energy: -4.845 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 53 Temperature: 1.300000 Total energy: -584.644847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -584.644847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -584.644847 (E_RNA) where: Base-Base interactions energy: -212.684 where: short stacking energy: -174.106 Base-Backbone interact. energy: 0.913 local terms energy: -372.874317 where: bonds (distance) C4'-P energy: -109.447 bonds (distance) P-C4' energy: -117.292 flat angles C4'-P-C4' energy: -104.884 flat angles P-C4'-P energy: -48.462 tors. eta vs tors. theta energy: 7.211 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 53 Temperature: 1.350000 Total energy: -471.507198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -471.507198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -471.507198 (E_RNA) where: Base-Base interactions energy: -140.309 where: short stacking energy: -118.262 Base-Backbone interact. energy: 0.819 local terms energy: -332.017327 where: bonds (distance) C4'-P energy: -86.798 bonds (distance) P-C4' energy: -129.653 flat angles C4'-P-C4' energy: -99.744 flat angles P-C4'-P energy: -55.286 tors. eta vs tors. theta energy: 39.464 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 54 Temperature: 0.900000 Total energy: -1986.770025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1986.770025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1986.770025 (E_RNA) where: Base-Base interactions energy: -1296.149 where: short stacking energy: -606.244 Base-Backbone interact. energy: -3.357 local terms energy: -687.264180 where: bonds (distance) C4'-P energy: -129.709 bonds (distance) P-C4' energy: -134.670 flat angles C4'-P-C4' energy: -148.400 flat angles P-C4'-P energy: -98.723 tors. eta vs tors. theta energy: -175.761 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: 8 ===================================== Write number: 54 Temperature: 0.950000 Total energy: -1909.868112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1909.868112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1909.868112 (E_RNA) where: Base-Base interactions energy: -1285.202 where: short stacking energy: -527.573 Base-Backbone interact. energy: -3.196 local terms energy: -621.470190 where: bonds (distance) C4'-P energy: -133.767 bonds (distance) P-C4' energy: -127.914 flat angles C4'-P-C4' energy: -136.841 flat angles P-C4'-P energy: -78.072 tors. eta vs tors. theta energy: -144.876 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 54 Temperature: 1.000000 Total energy: -1764.915815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1764.915815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1764.915815 (E_RNA) where: Base-Base interactions energy: -1163.475 where: short stacking energy: -517.881 Base-Backbone interact. energy: -0.627 local terms energy: -600.813550 where: bonds (distance) C4'-P energy: -132.439 bonds (distance) P-C4' energy: -126.411 flat angles C4'-P-C4' energy: -120.958 flat angles P-C4'-P energy: -76.361 tors. eta vs tors. theta energy: -144.643 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 54 Temperature: 1.050000 Total energy: -1687.300736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1687.300736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1687.300736 (E_RNA) where: Base-Base interactions energy: -1091.327 where: short stacking energy: -452.738 Base-Backbone interact. energy: -2.485 local terms energy: -593.489131 where: bonds (distance) C4'-P energy: -131.733 bonds (distance) P-C4' energy: -120.808 flat angles C4'-P-C4' energy: -133.544 flat angles P-C4'-P energy: -75.661 tors. eta vs tors. theta energy: -131.743 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: 5 ===================================== Write number: 54 Temperature: 1.100000 Total energy: -1502.123582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1502.123582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1502.123582 (E_RNA) where: Base-Base interactions energy: -973.067 where: short stacking energy: -465.229 Base-Backbone interact. energy: 3.043 local terms energy: -532.098922 where: bonds (distance) C4'-P energy: -118.138 bonds (distance) P-C4' energy: -110.912 flat angles C4'-P-C4' energy: -122.521 flat angles P-C4'-P energy: -77.330 tors. eta vs tors. theta energy: -103.197 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 54 Temperature: 1.150000 Total energy: -1446.970081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1446.970081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1446.970081 (E_RNA) where: Base-Base interactions energy: -921.015 where: short stacking energy: -398.442 Base-Backbone interact. energy: 2.885 local terms energy: -528.839374 where: bonds (distance) C4'-P energy: -121.856 bonds (distance) P-C4' energy: -123.726 flat angles C4'-P-C4' energy: -119.217 flat angles P-C4'-P energy: -72.646 tors. eta vs tors. theta energy: -91.394 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 54 Temperature: 1.200000 Total energy: -1171.232005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1171.232005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1171.232005 (E_RNA) where: Base-Base interactions energy: -696.111 where: short stacking energy: -306.652 Base-Backbone interact. energy: -4.152 local terms energy: -470.968659 where: bonds (distance) C4'-P energy: -117.007 bonds (distance) P-C4' energy: -119.295 flat angles C4'-P-C4' energy: -109.775 flat angles P-C4'-P energy: -64.050 tors. eta vs tors. theta energy: -60.841 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 54 Temperature: 1.250000 Total energy: -756.788683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -756.788683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -756.788683 (E_RNA) where: Base-Base interactions energy: -347.173 where: short stacking energy: -210.169 Base-Backbone interact. energy: 1.796 local terms energy: -411.411899 where: bonds (distance) C4'-P energy: -107.117 bonds (distance) P-C4' energy: -124.414 flat angles C4'-P-C4' energy: -127.862 flat angles P-C4'-P energy: -52.359 tors. eta vs tors. theta energy: 0.340 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: 3 ===================================== Write number: 54 Temperature: 1.300000 Total energy: -531.537970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -531.537970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -531.537970 (E_RNA) where: Base-Base interactions energy: -180.596 where: short stacking energy: -125.997 Base-Backbone interact. energy: -1.427 local terms energy: -349.514424 where: bonds (distance) C4'-P energy: -95.510 bonds (distance) P-C4' energy: -120.883 flat angles C4'-P-C4' energy: -100.088 flat angles P-C4'-P energy: -47.890 tors. eta vs tors. theta energy: 14.858 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 54 Temperature: 1.350000 Total energy: -497.287910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -497.287910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -497.287910 (E_RNA) where: Base-Base interactions energy: -164.925 where: short stacking energy: -102.048 Base-Backbone interact. energy: -5.264 local terms energy: -327.490613 where: bonds (distance) C4'-P energy: -98.327 bonds (distance) P-C4' energy: -105.013 flat angles C4'-P-C4' energy: -89.643 flat angles P-C4'-P energy: -62.765 tors. eta vs tors. theta energy: 28.258 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.392 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 55 Temperature: 0.900000 Total energy: -1950.741047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1950.741047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1950.741047 (E_RNA) where: Base-Base interactions energy: -1290.774 where: short stacking energy: -590.675 Base-Backbone interact. energy: 2.676 local terms energy: -662.642750 where: bonds (distance) C4'-P energy: -128.789 bonds (distance) P-C4' energy: -140.917 flat angles C4'-P-C4' energy: -139.182 flat angles P-C4'-P energy: -87.616 tors. eta vs tors. theta energy: -166.138 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 55 Temperature: 0.950000 Total energy: -1897.882666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1897.882666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1897.882666 (E_RNA) where: Base-Base interactions energy: -1282.486 where: short stacking energy: -489.975 Base-Backbone interact. energy: -2.430 local terms energy: -612.966022 where: bonds (distance) C4'-P energy: -132.217 bonds (distance) P-C4' energy: -130.309 flat angles C4'-P-C4' energy: -135.204 flat angles P-C4'-P energy: -71.618 tors. eta vs tors. theta energy: -143.618 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 55 Temperature: 1.000000 Total energy: -1748.583842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1748.583842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1748.583842 (E_RNA) where: Base-Base interactions energy: -1137.439 where: short stacking energy: -505.063 Base-Backbone interact. energy: 3.646 local terms energy: -614.790454 where: bonds (distance) C4'-P energy: -124.340 bonds (distance) P-C4' energy: -130.949 flat angles C4'-P-C4' energy: -132.211 flat angles P-C4'-P energy: -85.681 tors. eta vs tors. theta energy: -141.610 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 55 Temperature: 1.050000 Total energy: -1649.739027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1649.739027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1649.739027 (E_RNA) where: Base-Base interactions energy: -1072.381 where: short stacking energy: -462.345 Base-Backbone interact. energy: -1.851 local terms energy: -575.507406 where: bonds (distance) C4'-P energy: -120.073 bonds (distance) P-C4' energy: -145.309 flat angles C4'-P-C4' energy: -119.485 flat angles P-C4'-P energy: -64.377 tors. eta vs tors. theta energy: -126.264 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 55 Temperature: 1.100000 Total energy: -1562.624062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1562.624062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1562.624062 (E_RNA) where: Base-Base interactions energy: -1016.528 where: short stacking energy: -421.510 Base-Backbone interact. energy: 0.422 local terms energy: -546.518277 where: bonds (distance) C4'-P energy: -112.339 bonds (distance) P-C4' energy: -127.252 flat angles C4'-P-C4' energy: -119.742 flat angles P-C4'-P energy: -66.781 tors. eta vs tors. theta energy: -120.404 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: 6, replica: 10 ===================================== Write number: 55 Temperature: 1.150000 Total energy: -1484.894892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1484.894892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1484.894892 (E_RNA) where: Base-Base interactions energy: -951.632 where: short stacking energy: -403.990 Base-Backbone interact. energy: -0.591 local terms energy: -532.671809 where: bonds (distance) C4'-P energy: -97.631 bonds (distance) P-C4' energy: -122.663 flat angles C4'-P-C4' energy: -129.341 flat angles P-C4'-P energy: -77.665 tors. eta vs tors. theta energy: -105.372 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 55 Temperature: 1.200000 Total energy: -1182.669176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1182.669176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1182.669176 (E_RNA) where: Base-Base interactions energy: -704.684 where: short stacking energy: -313.789 Base-Backbone interact. energy: 1.530 local terms energy: -479.515083 where: bonds (distance) C4'-P energy: -122.799 bonds (distance) P-C4' energy: -117.868 flat angles C4'-P-C4' energy: -112.505 flat angles P-C4'-P energy: -70.108 tors. eta vs tors. theta energy: -56.235 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 55 Temperature: 1.250000 Total energy: -767.292375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -767.292375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -767.292375 (E_RNA) where: Base-Base interactions energy: -349.619 where: short stacking energy: -211.902 Base-Backbone interact. energy: -0.517 local terms energy: -417.155765 where: bonds (distance) C4'-P energy: -101.128 bonds (distance) P-C4' energy: -119.023 flat angles C4'-P-C4' energy: -123.989 flat angles P-C4'-P energy: -69.764 tors. eta vs tors. theta energy: -3.252 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: 3 ===================================== Write number: 55 Temperature: 1.300000 Total energy: -573.481169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -573.481169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -573.481169 (E_RNA) where: Base-Base interactions energy: -201.142 where: short stacking energy: -161.575 Base-Backbone interact. energy: -0.566 local terms energy: -371.772847 where: bonds (distance) C4'-P energy: -90.362 bonds (distance) P-C4' energy: -118.469 flat angles C4'-P-C4' energy: -109.676 flat angles P-C4'-P energy: -64.413 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: 9 ===================================== Write number: 55 Temperature: 1.350000 Total energy: -501.230802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -501.230802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -501.230802 (E_RNA) where: Base-Base interactions energy: -174.635 where: short stacking energy: -140.048 Base-Backbone interact. energy: 4.371 local terms energy: -330.966558 where: bonds (distance) C4'-P energy: -112.291 bonds (distance) P-C4' energy: -116.518 flat angles C4'-P-C4' energy: -83.408 flat angles P-C4'-P energy: -45.113 tors. eta vs tors. theta energy: 26.363 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 56 Temperature: 0.900000 Total energy: -1968.759626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1968.759626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1968.759626 (E_RNA) where: Base-Base interactions energy: -1299.511 where: short stacking energy: -596.344 Base-Backbone interact. energy: -1.449 local terms energy: -667.800098 where: bonds (distance) C4'-P energy: -125.504 bonds (distance) P-C4' energy: -138.273 flat angles C4'-P-C4' energy: -145.182 flat angles P-C4'-P energy: -96.852 tors. eta vs tors. theta energy: -161.989 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: 8 ===================================== Write number: 56 Temperature: 0.950000 Total energy: -1941.986507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1941.986507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1941.986507 (E_RNA) where: Base-Base interactions energy: -1289.393 where: short stacking energy: -518.834 Base-Backbone interact. energy: -0.689 local terms energy: -651.904058 where: bonds (distance) C4'-P energy: -131.157 bonds (distance) P-C4' energy: -124.084 flat angles C4'-P-C4' energy: -141.154 flat angles P-C4'-P energy: -103.611 tors. eta vs tors. theta energy: -151.897 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 56 Temperature: 1.000000 Total energy: -1784.326622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1784.326622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1784.326622 (E_RNA) where: Base-Base interactions energy: -1153.257 where: short stacking energy: -487.142 Base-Backbone interact. energy: -1.481 local terms energy: -629.589033 where: bonds (distance) C4'-P energy: -127.071 bonds (distance) P-C4' energy: -132.461 flat angles C4'-P-C4' energy: -130.381 flat angles P-C4'-P energy: -94.623 tors. eta vs tors. theta energy: -145.052 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 56 Temperature: 1.050000 Total energy: -1620.618695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1620.618695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1620.618695 (E_RNA) where: Base-Base interactions energy: -1050.741 where: short stacking energy: -453.818 Base-Backbone interact. energy: -1.476 local terms energy: -568.401725 where: bonds (distance) C4'-P energy: -113.101 bonds (distance) P-C4' energy: -129.752 flat angles C4'-P-C4' energy: -119.602 flat angles P-C4'-P energy: -77.304 tors. eta vs tors. theta energy: -128.642 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 56 Temperature: 1.100000 Total energy: -1598.380238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1598.380238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1598.380238 (E_RNA) where: Base-Base interactions energy: -1018.718 where: short stacking energy: -428.853 Base-Backbone interact. energy: -1.420 local terms energy: -578.242300 where: bonds (distance) C4'-P energy: -121.456 bonds (distance) P-C4' energy: -127.481 flat angles C4'-P-C4' energy: -127.783 flat angles P-C4'-P energy: -90.952 tors. eta vs tors. theta energy: -110.571 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 56 Temperature: 1.150000 Total energy: -1490.860221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1490.860221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1490.860221 (E_RNA) where: Base-Base interactions energy: -951.268 where: short stacking energy: -393.051 Base-Backbone interact. energy: -2.753 local terms energy: -536.839183 where: bonds (distance) C4'-P energy: -106.854 bonds (distance) P-C4' energy: -122.370 flat angles C4'-P-C4' energy: -131.050 flat angles P-C4'-P energy: -76.625 tors. eta vs tors. theta energy: -99.940 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 56 Temperature: 1.200000 Total energy: -1159.516995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1159.516995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1159.516995 (E_RNA) where: Base-Base interactions energy: -691.512 where: short stacking energy: -338.315 Base-Backbone interact. energy: -3.186 local terms energy: -464.819037 where: bonds (distance) C4'-P energy: -118.484 bonds (distance) P-C4' energy: -113.625 flat angles C4'-P-C4' energy: -116.088 flat angles P-C4'-P energy: -64.533 tors. eta vs tors. theta energy: -52.089 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 56 Temperature: 1.250000 Total energy: -788.464753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -788.464753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -788.464753 (E_RNA) where: Base-Base interactions energy: -370.846 where: short stacking energy: -200.726 Base-Backbone interact. energy: -1.247 local terms energy: -416.371566 where: bonds (distance) C4'-P energy: -101.960 bonds (distance) P-C4' energy: -124.597 flat angles C4'-P-C4' energy: -118.432 flat angles P-C4'-P energy: -48.203 tors. eta vs tors. theta energy: -23.180 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 56 Temperature: 1.300000 Total energy: -499.132039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -499.132039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -499.132039 (E_RNA) where: Base-Base interactions energy: -159.767 where: short stacking energy: -125.853 Base-Backbone interact. energy: -0.845 local terms energy: -338.519273 where: bonds (distance) C4'-P energy: -119.552 bonds (distance) P-C4' energy: -111.977 flat angles C4'-P-C4' energy: -90.422 flat angles P-C4'-P energy: -43.737 tors. eta vs tors. theta energy: 27.169 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 56 Temperature: 1.350000 Total energy: -492.738451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -492.738451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -492.738451 (E_RNA) where: Base-Base interactions energy: -163.686 where: short stacking energy: -134.794 Base-Backbone interact. energy: -2.724 local terms energy: -326.329075 where: bonds (distance) C4'-P energy: -101.529 bonds (distance) P-C4' energy: -114.908 flat angles C4'-P-C4' energy: -101.480 flat angles P-C4'-P energy: -47.677 tors. eta vs tors. theta energy: 39.265 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: 6 ===================================== Write number: 57 Temperature: 0.900000 Total energy: -1965.234261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1965.234261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1965.234261 (E_RNA) where: Base-Base interactions energy: -1278.901 where: short stacking energy: -580.510 Base-Backbone interact. energy: -4.049 local terms energy: -682.284002 where: bonds (distance) C4'-P energy: -125.960 bonds (distance) P-C4' energy: -130.799 flat angles C4'-P-C4' energy: -154.983 flat angles P-C4'-P energy: -93.406 tors. eta vs tors. theta energy: -177.136 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 57 Temperature: 0.950000 Total energy: -1933.844770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1933.844770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1933.844770 (E_RNA) where: Base-Base interactions energy: -1289.769 where: short stacking energy: -528.374 Base-Backbone interact. energy: -3.505 local terms energy: -640.570171 where: bonds (distance) C4'-P energy: -127.890 bonds (distance) P-C4' energy: -125.167 flat angles C4'-P-C4' energy: -138.425 flat angles P-C4'-P energy: -83.644 tors. eta vs tors. theta energy: -165.444 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: 2 ===================================== Write number: 57 Temperature: 1.000000 Total energy: -1791.312530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1791.312530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1791.312530 (E_RNA) where: Base-Base interactions energy: -1186.316 where: short stacking energy: -497.796 Base-Backbone interact. energy: -4.478 local terms energy: -600.518955 where: bonds (distance) C4'-P energy: -111.330 bonds (distance) P-C4' energy: -129.977 flat angles C4'-P-C4' energy: -128.985 flat angles P-C4'-P energy: -91.136 tors. eta vs tors. theta energy: -139.091 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: 4, replica: 5 ===================================== Write number: 57 Temperature: 1.050000 Total energy: -1679.153067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1679.153067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1679.153067 (E_RNA) where: Base-Base interactions energy: -1071.836 where: short stacking energy: -488.965 Base-Backbone interact. energy: -0.695 local terms energy: -606.621863 where: bonds (distance) C4'-P energy: -134.813 bonds (distance) P-C4' energy: -125.909 flat angles C4'-P-C4' energy: -129.524 flat angles P-C4'-P energy: -75.935 tors. eta vs tors. theta energy: -140.441 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: 4 ===================================== Write number: 57 Temperature: 1.100000 Total energy: -1549.785467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1549.785467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1549.785467 (E_RNA) where: Base-Base interactions energy: -977.959 where: short stacking energy: -413.611 Base-Backbone interact. energy: -0.847 local terms energy: -570.979901 where: bonds (distance) C4'-P energy: -125.183 bonds (distance) P-C4' energy: -116.365 flat angles C4'-P-C4' energy: -136.393 flat angles P-C4'-P energy: -73.715 tors. eta vs tors. theta energy: -119.323 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 57 Temperature: 1.150000 Total energy: -1514.970107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1514.970107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1514.970107 (E_RNA) where: Base-Base interactions energy: -979.175 where: short stacking energy: -417.831 Base-Backbone interact. energy: 0.347 local terms energy: -536.142051 where: bonds (distance) C4'-P energy: -107.253 bonds (distance) P-C4' energy: -106.817 flat angles C4'-P-C4' energy: -123.567 flat angles P-C4'-P energy: -87.648 tors. eta vs tors. theta energy: -110.857 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: 57 Temperature: 1.200000 Total energy: -1110.903504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1110.903504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1110.903504 (E_RNA) where: Base-Base interactions energy: -618.939 where: short stacking energy: -316.181 Base-Backbone interact. energy: -2.928 local terms energy: -489.036612 where: bonds (distance) C4'-P energy: -115.679 bonds (distance) P-C4' energy: -126.150 flat angles C4'-P-C4' energy: -111.974 flat angles P-C4'-P energy: -77.854 tors. eta vs tors. theta energy: -57.380 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 57 Temperature: 1.250000 Total energy: -767.969878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -767.969878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -767.969878 (E_RNA) where: Base-Base interactions energy: -358.529 where: short stacking energy: -218.775 Base-Backbone interact. energy: -2.519 local terms energy: -406.922695 where: bonds (distance) C4'-P energy: -98.677 bonds (distance) P-C4' energy: -117.130 flat angles C4'-P-C4' energy: -94.470 flat angles P-C4'-P energy: -73.811 tors. eta vs tors. theta energy: -22.834 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: 9, replica: 3 ===================================== Write number: 57 Temperature: 1.300000 Total energy: -522.857580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -522.857580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -522.857580 (E_RNA) where: Base-Base interactions energy: -172.788 where: short stacking energy: -141.296 Base-Backbone interact. energy: -4.218 local terms energy: -345.851461 where: bonds (distance) C4'-P energy: -94.217 bonds (distance) P-C4' energy: -108.916 flat angles C4'-P-C4' energy: -109.239 flat angles P-C4'-P energy: -47.644 tors. eta vs tors. theta energy: 14.164 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 57 Temperature: 1.350000 Total energy: -508.297694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -508.297694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -508.297694 (E_RNA) where: Base-Base interactions energy: -150.116 where: short stacking energy: -120.385 Base-Backbone interact. energy: 3.937 local terms energy: -362.118859 where: bonds (distance) C4'-P energy: -87.406 bonds (distance) P-C4' energy: -110.391 flat angles C4'-P-C4' energy: -114.666 flat angles P-C4'-P energy: -74.434 tors. eta vs tors. theta energy: 24.778 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 58 Temperature: 0.900000 Total energy: -2016.354102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2016.354102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2016.354102 (E_RNA) where: Base-Base interactions energy: -1357.370 where: short stacking energy: -560.092 Base-Backbone interact. energy: -3.381 local terms energy: -655.602366 where: bonds (distance) C4'-P energy: -133.233 bonds (distance) P-C4' energy: -138.109 flat angles C4'-P-C4' energy: -136.086 flat angles P-C4'-P energy: -87.778 tors. eta vs tors. theta energy: -160.396 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: 6 ===================================== Write number: 58 Temperature: 0.950000 Total energy: -1876.540634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1876.540634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1876.540634 (E_RNA) where: Base-Base interactions energy: -1239.428 where: short stacking energy: -545.822 Base-Backbone interact. energy: -0.985 local terms energy: -636.127587 where: bonds (distance) C4'-P energy: -133.697 bonds (distance) P-C4' energy: -117.589 flat angles C4'-P-C4' energy: -133.997 flat angles P-C4'-P energy: -98.438 tors. eta vs tors. theta energy: -152.406 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: 5 ===================================== Write number: 58 Temperature: 1.000000 Total energy: -1773.443561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1773.443561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1773.443561 (E_RNA) where: Base-Base interactions energy: -1144.494 where: short stacking energy: -514.340 Base-Backbone interact. energy: -4.368 local terms energy: -624.581028 where: bonds (distance) C4'-P energy: -130.994 bonds (distance) P-C4' energy: -122.345 flat angles C4'-P-C4' energy: -143.928 flat angles P-C4'-P energy: -87.497 tors. eta vs tors. theta energy: -139.818 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 58 Temperature: 1.050000 Total energy: -1741.082409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1741.082409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1741.082409 (E_RNA) where: Base-Base interactions energy: -1149.165 where: short stacking energy: -488.844 Base-Backbone interact. energy: -2.477 local terms energy: -589.440053 where: bonds (distance) C4'-P energy: -120.605 bonds (distance) P-C4' energy: -118.863 flat angles C4'-P-C4' energy: -141.595 flat angles P-C4'-P energy: -72.072 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: 5, replica: 4 ===================================== Write number: 58 Temperature: 1.100000 Total energy: -1513.216542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1513.216542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1513.216542 (E_RNA) where: Base-Base interactions energy: -949.999 where: short stacking energy: -414.794 Base-Backbone interact. energy: 2.351 local terms energy: -565.568390 where: bonds (distance) C4'-P energy: -126.111 bonds (distance) P-C4' energy: -126.785 flat angles C4'-P-C4' energy: -118.846 flat angles P-C4'-P energy: -88.252 tors. eta vs tors. theta energy: -105.574 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: 6, replica: 10 ===================================== Write number: 58 Temperature: 1.150000 Total energy: -1570.878017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1570.878017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1570.878017 (E_RNA) where: Base-Base interactions energy: -989.863 where: short stacking energy: -438.481 Base-Backbone interact. energy: -3.006 local terms energy: -578.008814 where: bonds (distance) C4'-P energy: -118.548 bonds (distance) P-C4' energy: -114.131 flat angles C4'-P-C4' energy: -132.722 flat angles P-C4'-P energy: -90.847 tors. eta vs tors. theta energy: -121.761 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: 58 Temperature: 1.200000 Total energy: -1003.208248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1003.208248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1003.208248 (E_RNA) where: Base-Base interactions energy: -555.523 where: short stacking energy: -257.515 Base-Backbone interact. energy: 0.889 local terms energy: -448.574119 where: bonds (distance) C4'-P energy: -112.226 bonds (distance) P-C4' energy: -123.664 flat angles C4'-P-C4' energy: -120.109 flat angles P-C4'-P energy: -57.861 tors. eta vs tors. theta energy: -34.714 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: 1 ===================================== Write number: 58 Temperature: 1.250000 Total energy: -730.680413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -730.680413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -730.680413 (E_RNA) where: Base-Base interactions energy: -346.195 where: short stacking energy: -205.332 Base-Backbone interact. energy: 1.469 local terms energy: -385.954596 where: bonds (distance) C4'-P energy: -108.027 bonds (distance) P-C4' energy: -119.707 flat angles C4'-P-C4' energy: -93.193 flat angles P-C4'-P energy: -56.967 tors. eta vs tors. theta energy: -8.060 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 58 Temperature: 1.300000 Total energy: -500.865890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -500.865890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -500.865890 (E_RNA) where: Base-Base interactions energy: -162.607 where: short stacking energy: -131.569 Base-Backbone interact. energy: 0.515 local terms energy: -338.774457 where: bonds (distance) C4'-P energy: -118.775 bonds (distance) P-C4' energy: -108.245 flat angles C4'-P-C4' energy: -93.707 flat angles P-C4'-P energy: -37.225 tors. eta vs tors. theta energy: 19.178 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: 9 ===================================== Write number: 58 Temperature: 1.350000 Total energy: -518.146776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -518.146776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -518.146776 (E_RNA) where: Base-Base interactions energy: -195.818 where: short stacking energy: -162.652 Base-Backbone interact. energy: -0.032 local terms energy: -322.295952 where: bonds (distance) C4'-P energy: -103.997 bonds (distance) P-C4' energy: -107.824 flat angles C4'-P-C4' energy: -78.414 flat angles P-C4'-P energy: -43.583 tors. eta vs tors. theta energy: 11.523 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: 59 Temperature: 0.900000 Total energy: -1944.097491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1944.097491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1944.097491 (E_RNA) where: Base-Base interactions energy: -1311.746 where: short stacking energy: -525.021 Base-Backbone interact. energy: 0.447 local terms energy: -632.798836 where: bonds (distance) C4'-P energy: -114.718 bonds (distance) P-C4' energy: -138.294 flat angles C4'-P-C4' energy: -146.319 flat angles P-C4'-P energy: -98.520 tors. eta vs tors. theta energy: -134.948 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 59 Temperature: 0.950000 Total energy: -1871.077656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1871.077656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1871.077656 (E_RNA) where: Base-Base interactions energy: -1220.932 where: short stacking energy: -536.638 Base-Backbone interact. energy: -1.559 local terms energy: -648.586885 where: bonds (distance) C4'-P energy: -119.571 bonds (distance) P-C4' energy: -147.451 flat angles C4'-P-C4' energy: -135.814 flat angles P-C4'-P energy: -97.479 tors. eta vs tors. theta energy: -148.272 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: 5 ===================================== Write number: 59 Temperature: 1.000000 Total energy: -1827.198753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1827.198753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1827.198753 (E_RNA) where: Base-Base interactions energy: -1174.138 where: short stacking energy: -545.838 Base-Backbone interact. energy: -0.277 local terms energy: -652.783913 where: bonds (distance) C4'-P energy: -115.433 bonds (distance) P-C4' energy: -128.744 flat angles C4'-P-C4' energy: -147.032 flat angles P-C4'-P energy: -97.752 tors. eta vs tors. theta energy: -163.823 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: 4, replica: 2 ===================================== Write number: 59 Temperature: 1.050000 Total energy: -1706.563686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1706.563686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1706.563686 (E_RNA) where: Base-Base interactions energy: -1118.961 where: short stacking energy: -500.155 Base-Backbone interact. energy: 1.259 local terms energy: -588.862137 where: bonds (distance) C4'-P energy: -123.007 bonds (distance) P-C4' energy: -127.294 flat angles C4'-P-C4' energy: -131.148 flat angles P-C4'-P energy: -78.486 tors. eta vs tors. theta energy: -128.927 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: 4 ===================================== Write number: 59 Temperature: 1.100000 Total energy: -1550.862946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1550.862946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1550.862946 (E_RNA) where: Base-Base interactions energy: -1024.864 where: short stacking energy: -456.882 Base-Backbone interact. energy: -0.696 local terms energy: -525.302567 where: bonds (distance) C4'-P energy: -108.262 bonds (distance) P-C4' energy: -103.540 flat angles C4'-P-C4' energy: -134.668 flat angles P-C4'-P energy: -64.143 tors. eta vs tors. theta energy: -114.689 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 59 Temperature: 1.150000 Total energy: -1480.335018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1480.335018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1480.335018 (E_RNA) where: Base-Base interactions energy: -1001.009 where: short stacking energy: -409.480 Base-Backbone interact. energy: -0.496 local terms energy: -478.830119 where: bonds (distance) C4'-P energy: -93.336 bonds (distance) P-C4' energy: -102.681 flat angles C4'-P-C4' energy: -119.270 flat angles P-C4'-P energy: -69.212 tors. eta vs tors. theta energy: -94.331 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 59 Temperature: 1.200000 Total energy: -1009.147893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1009.147893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1009.147893 (E_RNA) where: Base-Base interactions energy: -533.185 where: short stacking energy: -253.835 Base-Backbone interact. energy: -2.490 local terms energy: -473.472799 where: bonds (distance) C4'-P energy: -115.883 bonds (distance) P-C4' energy: -132.978 flat angles C4'-P-C4' energy: -102.389 flat angles P-C4'-P energy: -85.124 tors. eta vs tors. theta energy: -37.099 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: 1 ===================================== Write number: 59 Temperature: 1.250000 Total energy: -794.549987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -794.549987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -794.549987 (E_RNA) where: Base-Base interactions energy: -390.743 where: short stacking energy: -208.445 Base-Backbone interact. energy: -0.657 local terms energy: -403.149847 where: bonds (distance) C4'-P energy: -114.179 bonds (distance) P-C4' energy: -120.164 flat angles C4'-P-C4' energy: -106.330 flat angles P-C4'-P energy: -39.078 tors. eta vs tors. theta energy: -23.399 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: 3 ===================================== Write number: 59 Temperature: 1.300000 Total energy: -536.610063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -536.610063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -536.610063 (E_RNA) where: Base-Base interactions energy: -189.671 where: short stacking energy: -153.610 Base-Backbone interact. energy: -0.368 local terms energy: -346.570486 where: bonds (distance) C4'-P energy: -105.762 bonds (distance) P-C4' energy: -109.596 flat angles C4'-P-C4' energy: -84.342 flat angles P-C4'-P energy: -74.846 tors. eta vs tors. theta energy: 27.976 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: 10, replica: 9 ===================================== Write number: 59 Temperature: 1.350000 Total energy: -490.052227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -490.052227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -490.052227 (E_RNA) where: Base-Base interactions energy: -198.547 where: short stacking energy: -144.270 Base-Backbone interact. energy: 8.280 local terms energy: -299.785002 where: bonds (distance) C4'-P energy: -96.952 bonds (distance) P-C4' energy: -95.743 flat angles C4'-P-C4' energy: -86.667 flat angles P-C4'-P energy: -56.967 tors. eta vs tors. theta energy: 36.545 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 60 Temperature: 0.900000 Total energy: -1955.996500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1955.996500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1955.996500 (E_RNA) where: Base-Base interactions energy: -1284.347 where: short stacking energy: -543.823 Base-Backbone interact. energy: -1.512 local terms energy: -670.137700 where: bonds (distance) C4'-P energy: -133.218 bonds (distance) P-C4' energy: -138.134 flat angles C4'-P-C4' energy: -139.098 flat angles P-C4'-P energy: -100.405 tors. eta vs tors. theta energy: -159.283 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 60 Temperature: 0.950000 Total energy: -1905.060894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1905.060894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1905.060894 (E_RNA) where: Base-Base interactions energy: -1232.949 where: short stacking energy: -576.082 Base-Backbone interact. energy: -1.324 local terms energy: -670.787920 where: bonds (distance) C4'-P energy: -130.115 bonds (distance) P-C4' energy: -142.341 flat angles C4'-P-C4' energy: -140.920 flat angles P-C4'-P energy: -87.865 tors. eta vs tors. theta energy: -169.546 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: 5 ===================================== Write number: 60 Temperature: 1.000000 Total energy: -1864.532033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1864.532033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1864.532033 (E_RNA) where: Base-Base interactions energy: -1206.755 where: short stacking energy: -537.734 Base-Backbone interact. energy: 3.068 local terms energy: -660.845330 where: bonds (distance) C4'-P energy: -117.333 bonds (distance) P-C4' energy: -143.532 flat angles C4'-P-C4' energy: -153.280 flat angles P-C4'-P energy: -87.545 tors. eta vs tors. theta energy: -159.155 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 60 Temperature: 1.050000 Total energy: -1678.322999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1678.322999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1678.322999 (E_RNA) where: Base-Base interactions energy: -1094.227 where: short stacking energy: -465.948 Base-Backbone interact. energy: -2.058 local terms energy: -582.037865 where: bonds (distance) C4'-P energy: -119.785 bonds (distance) P-C4' energy: -123.629 flat angles C4'-P-C4' energy: -121.771 flat angles P-C4'-P energy: -91.734 tors. eta vs tors. theta energy: -125.119 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: 10 ===================================== Write number: 60 Temperature: 1.100000 Total energy: -1602.220252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1602.220252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1602.220252 (E_RNA) where: Base-Base interactions energy: -1073.564 where: short stacking energy: -449.897 Base-Backbone interact. energy: 0.073 local terms energy: -528.728461 where: bonds (distance) C4'-P energy: -114.374 bonds (distance) P-C4' energy: -114.083 flat angles C4'-P-C4' energy: -117.282 flat angles P-C4'-P energy: -67.137 tors. eta vs tors. theta energy: -115.853 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: 60 Temperature: 1.150000 Total energy: -1466.513256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1466.513256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1466.513256 (E_RNA) where: Base-Base interactions energy: -910.136 where: short stacking energy: -411.732 Base-Backbone interact. energy: -2.284 local terms energy: -554.093337 where: bonds (distance) C4'-P energy: -111.378 bonds (distance) P-C4' energy: -132.564 flat angles C4'-P-C4' energy: -113.045 flat angles P-C4'-P energy: -79.263 tors. eta vs tors. theta energy: -117.844 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: 7 ===================================== Write number: 60 Temperature: 1.200000 Total energy: -1055.820169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1055.820169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1055.820169 (E_RNA) where: Base-Base interactions energy: -600.057 where: short stacking energy: -293.580 Base-Backbone interact. energy: -2.115 local terms energy: -453.648100 where: bonds (distance) C4'-P energy: -106.888 bonds (distance) P-C4' energy: -127.940 flat angles C4'-P-C4' energy: -107.278 flat angles P-C4'-P energy: -78.104 tors. eta vs tors. theta energy: -33.438 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 60 Temperature: 1.250000 Total energy: -797.561743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -797.561743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -797.561743 (E_RNA) where: Base-Base interactions energy: -410.556 where: short stacking energy: -202.780 Base-Backbone interact. energy: -1.987 local terms energy: -385.018735 where: bonds (distance) C4'-P energy: -101.188 bonds (distance) P-C4' energy: -105.889 flat angles C4'-P-C4' energy: -90.550 flat angles P-C4'-P energy: -72.095 tors. eta vs tors. theta energy: -15.296 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 60 Temperature: 1.300000 Total energy: -550.633306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -550.633306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -550.633306 (E_RNA) where: Base-Base interactions energy: -176.967 where: short stacking energy: -123.481 Base-Backbone interact. energy: -1.155 local terms energy: -372.510663 where: bonds (distance) C4'-P energy: -114.803 bonds (distance) P-C4' energy: -134.988 flat angles C4'-P-C4' energy: -101.286 flat angles P-C4'-P energy: -47.526 tors. eta vs tors. theta energy: 26.093 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: 3 ===================================== Write number: 60 Temperature: 1.350000 Total energy: -607.782348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -607.782348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -607.782348 (E_RNA) where: Base-Base interactions energy: -273.838 where: short stacking energy: -156.561 Base-Backbone interact. energy: -0.281 local terms energy: -333.662990 where: bonds (distance) C4'-P energy: -109.090 bonds (distance) P-C4' energy: -113.181 flat angles C4'-P-C4' energy: -84.175 flat angles P-C4'-P energy: -47.965 tors. eta vs tors. theta energy: 20.747 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: 8 ===================================== Write number: 61 Temperature: 0.900000 Total energy: -1973.703204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1973.703204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1973.703204 (E_RNA) where: Base-Base interactions energy: -1339.546 where: short stacking energy: -574.985 Base-Backbone interact. energy: -0.016 local terms energy: -634.140840 where: bonds (distance) C4'-P energy: -127.677 bonds (distance) P-C4' energy: -117.792 flat angles C4'-P-C4' energy: -141.966 flat angles P-C4'-P energy: -85.527 tors. eta vs tors. theta energy: -161.179 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 61 Temperature: 0.950000 Total energy: -1950.959621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1950.959621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1950.959621 (E_RNA) where: Base-Base interactions energy: -1301.231 where: short stacking energy: -573.270 Base-Backbone interact. energy: -0.988 local terms energy: -648.740483 where: bonds (distance) C4'-P energy: -113.646 bonds (distance) P-C4' energy: -131.557 flat angles C4'-P-C4' energy: -143.672 flat angles P-C4'-P energy: -95.131 tors. eta vs tors. theta energy: -164.735 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 61 Temperature: 1.000000 Total energy: -1851.283514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1851.283514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1851.283514 (E_RNA) where: Base-Base interactions energy: -1201.369 where: short stacking energy: -552.686 Base-Backbone interact. energy: -0.644 local terms energy: -649.271350 where: bonds (distance) C4'-P energy: -119.812 bonds (distance) P-C4' energy: -136.575 flat angles C4'-P-C4' energy: -138.776 flat angles P-C4'-P energy: -90.811 tors. eta vs tors. theta energy: -163.297 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 61 Temperature: 1.050000 Total energy: -1730.211981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1730.211981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1730.211981 (E_RNA) where: Base-Base interactions energy: -1136.039 where: short stacking energy: -490.597 Base-Backbone interact. energy: -2.567 local terms energy: -591.606637 where: bonds (distance) C4'-P energy: -123.973 bonds (distance) P-C4' energy: -128.180 flat angles C4'-P-C4' energy: -134.319 flat angles P-C4'-P energy: -86.151 tors. eta vs tors. theta energy: -118.984 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 61 Temperature: 1.100000 Total energy: -1643.967118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1643.967118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1643.967118 (E_RNA) where: Base-Base interactions energy: -1071.724 where: short stacking energy: -457.757 Base-Backbone interact. energy: 4.790 local terms energy: -577.033087 where: bonds (distance) C4'-P energy: -112.984 bonds (distance) P-C4' energy: -133.682 flat angles C4'-P-C4' energy: -140.419 flat angles P-C4'-P energy: -66.875 tors. eta vs tors. theta energy: -123.073 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: 4 ===================================== Write number: 61 Temperature: 1.150000 Total energy: -1519.179768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1519.179768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1519.179768 (E_RNA) where: Base-Base interactions energy: -1003.884 where: short stacking energy: -401.199 Base-Backbone interact. energy: 1.783 local terms energy: -517.078076 where: bonds (distance) C4'-P energy: -107.273 bonds (distance) P-C4' energy: -112.645 flat angles C4'-P-C4' energy: -129.228 flat angles P-C4'-P energy: -70.634 tors. eta vs tors. theta energy: -97.299 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 61 Temperature: 1.200000 Total energy: -1039.120461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1039.120461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1039.120461 (E_RNA) where: Base-Base interactions energy: -627.122 where: short stacking energy: -285.374 Base-Backbone interact. energy: -1.131 local terms energy: -410.867311 where: bonds (distance) C4'-P energy: -98.337 bonds (distance) P-C4' energy: -113.426 flat angles C4'-P-C4' energy: -111.969 flat angles P-C4'-P energy: -63.229 tors. eta vs tors. theta energy: -23.907 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 61 Temperature: 1.250000 Total energy: -761.090046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -761.090046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -761.090046 (E_RNA) where: Base-Base interactions energy: -351.384 where: short stacking energy: -207.600 Base-Backbone interact. energy: -2.106 local terms energy: -407.600396 where: bonds (distance) C4'-P energy: -110.586 bonds (distance) P-C4' energy: -116.923 flat angles C4'-P-C4' energy: -121.001 flat angles P-C4'-P energy: -50.419 tors. eta vs tors. theta energy: -8.672 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 61 Temperature: 1.300000 Total energy: -551.988603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -551.988603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -551.988603 (E_RNA) where: Base-Base interactions energy: -205.852 where: short stacking energy: -158.790 Base-Backbone interact. energy: 0.359 local terms energy: -346.524776 where: bonds (distance) C4'-P energy: -106.600 bonds (distance) P-C4' energy: -123.679 flat angles C4'-P-C4' energy: -94.600 flat angles P-C4'-P energy: -46.833 tors. eta vs tors. theta energy: 25.188 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.028 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 61 Temperature: 1.350000 Total energy: -521.990814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -521.990814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -521.990814 (E_RNA) where: Base-Base interactions energy: -175.351 where: short stacking energy: -115.420 Base-Backbone interact. energy: -0.334 local terms energy: -346.305292 where: bonds (distance) C4'-P energy: -100.178 bonds (distance) P-C4' energy: -125.143 flat angles C4'-P-C4' energy: -93.298 flat angles P-C4'-P energy: -46.818 tors. eta vs tors. theta energy: 19.132 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: 8 ===================================== Write number: 62 Temperature: 0.900000 Total energy: -1969.602897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1969.602897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1969.602897 (E_RNA) where: Base-Base interactions energy: -1332.955 where: short stacking energy: -563.639 Base-Backbone interact. energy: -1.927 local terms energy: -634.721185 where: bonds (distance) C4'-P energy: -125.430 bonds (distance) P-C4' energy: -123.883 flat angles C4'-P-C4' energy: -143.823 flat angles P-C4'-P energy: -84.441 tors. eta vs tors. theta energy: -157.143 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 62 Temperature: 0.950000 Total energy: -1907.278795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1907.278795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1907.278795 (E_RNA) where: Base-Base interactions energy: -1262.014 where: short stacking energy: -545.025 Base-Backbone interact. energy: 0.565 local terms energy: -645.830217 where: bonds (distance) C4'-P energy: -121.875 bonds (distance) P-C4' energy: -139.172 flat angles C4'-P-C4' energy: -142.215 flat angles P-C4'-P energy: -86.137 tors. eta vs tors. theta energy: -156.431 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: 5 ===================================== Write number: 62 Temperature: 1.000000 Total energy: -1908.171114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1908.171114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1908.171114 (E_RNA) where: Base-Base interactions energy: -1238.352 where: short stacking energy: -535.351 Base-Backbone interact. energy: -4.045 local terms energy: -665.774399 where: bonds (distance) C4'-P energy: -124.954 bonds (distance) P-C4' energy: -128.880 flat angles C4'-P-C4' energy: -146.303 flat angles P-C4'-P energy: -101.838 tors. eta vs tors. theta energy: -163.800 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 62 Temperature: 1.050000 Total energy: -1765.637485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1765.637485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1765.637485 (E_RNA) where: Base-Base interactions energy: -1155.420 where: short stacking energy: -521.700 Base-Backbone interact. energy: -2.340 local terms energy: -607.878131 where: bonds (distance) C4'-P energy: -127.729 bonds (distance) P-C4' energy: -130.926 flat angles C4'-P-C4' energy: -142.507 flat angles P-C4'-P energy: -70.366 tors. eta vs tors. theta energy: -136.350 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 62 Temperature: 1.100000 Total energy: -1603.580880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1603.580880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1603.580880 (E_RNA) where: Base-Base interactions energy: -1038.728 where: short stacking energy: -444.265 Base-Backbone interact. energy: -0.079 local terms energy: -564.773480 where: bonds (distance) C4'-P energy: -111.540 bonds (distance) P-C4' energy: -129.227 flat angles C4'-P-C4' energy: -122.481 flat angles P-C4'-P energy: -82.987 tors. eta vs tors. theta energy: -118.539 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 62 Temperature: 1.150000 Total energy: -1553.039677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1553.039677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1553.039677 (E_RNA) where: Base-Base interactions energy: -990.164 where: short stacking energy: -421.368 Base-Backbone interact. energy: -3.960 local terms energy: -558.915859 where: bonds (distance) C4'-P energy: -123.405 bonds (distance) P-C4' energy: -125.620 flat angles C4'-P-C4' energy: -120.048 flat angles P-C4'-P energy: -80.074 tors. eta vs tors. theta energy: -109.769 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: 7 ===================================== Write number: 62 Temperature: 1.200000 Total energy: -1069.942934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1069.942934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1069.942934 (E_RNA) where: Base-Base interactions energy: -615.302 where: short stacking energy: -295.380 Base-Backbone interact. energy: -1.207 local terms energy: -453.433830 where: bonds (distance) C4'-P energy: -107.378 bonds (distance) P-C4' energy: -104.401 flat angles C4'-P-C4' energy: -125.236 flat angles P-C4'-P energy: -77.089 tors. eta vs tors. theta energy: -39.330 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: 1 ===================================== Write number: 62 Temperature: 1.250000 Total energy: -767.334347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -767.334347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -767.334347 (E_RNA) where: Base-Base interactions energy: -375.600 where: short stacking energy: -229.948 Base-Backbone interact. energy: 4.258 local terms energy: -395.992656 where: bonds (distance) C4'-P energy: -117.441 bonds (distance) P-C4' energy: -98.082 flat angles C4'-P-C4' energy: -113.098 flat angles P-C4'-P energy: -47.539 tors. eta vs tors. theta energy: -19.833 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 62 Temperature: 1.300000 Total energy: -531.311850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -531.311850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -531.311850 (E_RNA) where: Base-Base interactions energy: -180.567 where: short stacking energy: -153.855 Base-Backbone interact. energy: -1.830 local terms energy: -348.915143 where: bonds (distance) C4'-P energy: -118.866 bonds (distance) P-C4' energy: -124.165 flat angles C4'-P-C4' energy: -74.550 flat angles P-C4'-P energy: -46.177 tors. eta vs tors. theta energy: 14.843 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: 3 ===================================== Write number: 62 Temperature: 1.350000 Total energy: -484.575644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -484.575644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -484.575644 (E_RNA) where: Base-Base interactions energy: -171.865 where: short stacking energy: -131.616 Base-Backbone interact. energy: 0.018 local terms energy: -312.728433 where: bonds (distance) C4'-P energy: -93.931 bonds (distance) P-C4' energy: -98.774 flat angles C4'-P-C4' energy: -84.994 flat angles P-C4'-P energy: -48.769 tors. eta vs tors. theta energy: 13.741 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 63 Temperature: 0.900000 Total energy: -1952.897659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1952.897659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1952.897659 (E_RNA) where: Base-Base interactions energy: -1303.878 where: short stacking energy: -530.909 Base-Backbone interact. energy: -1.091 local terms energy: -647.928648 where: bonds (distance) C4'-P energy: -129.907 bonds (distance) P-C4' energy: -128.925 flat angles C4'-P-C4' energy: -138.888 flat angles P-C4'-P energy: -92.121 tors. eta vs tors. theta energy: -158.088 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 63 Temperature: 0.950000 Total energy: -1988.907030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1988.907030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1988.907030 (E_RNA) where: Base-Base interactions energy: -1300.085 where: short stacking energy: -578.008 Base-Backbone interact. energy: -2.644 local terms energy: -686.178537 where: bonds (distance) C4'-P energy: -128.293 bonds (distance) P-C4' energy: -136.541 flat angles C4'-P-C4' energy: -141.995 flat angles P-C4'-P energy: -99.815 tors. eta vs tors. theta energy: -179.535 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: 6 ===================================== Write number: 63 Temperature: 1.000000 Total energy: -1818.893622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1818.893622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1818.893622 (E_RNA) where: Base-Base interactions energy: -1204.159 where: short stacking energy: -517.624 Base-Backbone interact. energy: -2.545 local terms energy: -612.189309 where: bonds (distance) C4'-P energy: -133.265 bonds (distance) P-C4' energy: -117.563 flat angles C4'-P-C4' energy: -130.615 flat angles P-C4'-P energy: -95.371 tors. eta vs tors. theta energy: -135.375 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: 4, replica: 10 ===================================== Write number: 63 Temperature: 1.050000 Total energy: -1783.009799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1783.009799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1783.009799 (E_RNA) where: Base-Base interactions energy: -1159.202 where: short stacking energy: -491.009 Base-Backbone interact. energy: -4.094 local terms energy: -619.713883 where: bonds (distance) C4'-P energy: -129.090 bonds (distance) P-C4' energy: -133.935 flat angles C4'-P-C4' energy: -120.092 flat angles P-C4'-P energy: -95.473 tors. eta vs tors. theta energy: -141.124 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 63 Temperature: 1.100000 Total energy: -1636.925845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1636.925845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1636.925845 (E_RNA) where: Base-Base interactions energy: -1074.577 where: short stacking energy: -456.893 Base-Backbone interact. energy: -1.100 local terms energy: -561.249434 where: bonds (distance) C4'-P energy: -103.034 bonds (distance) P-C4' energy: -135.073 flat angles C4'-P-C4' energy: -110.427 flat angles P-C4'-P energy: -86.213 tors. eta vs tors. theta energy: -126.502 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 63 Temperature: 1.150000 Total energy: -1510.957916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1510.957916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1510.957916 (E_RNA) where: Base-Base interactions energy: -949.928 where: short stacking energy: -437.175 Base-Backbone interact. energy: 2.033 local terms energy: -563.062806 where: bonds (distance) C4'-P energy: -115.014 bonds (distance) P-C4' energy: -116.124 flat angles C4'-P-C4' energy: -129.820 flat angles P-C4'-P energy: -91.579 tors. eta vs tors. theta energy: -110.525 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 63 Temperature: 1.200000 Total energy: -1105.609881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1105.609881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1105.609881 (E_RNA) where: Base-Base interactions energy: -617.512 where: short stacking energy: -308.953 Base-Backbone interact. energy: 0.309 local terms energy: -488.406842 where: bonds (distance) C4'-P energy: -106.209 bonds (distance) P-C4' energy: -129.739 flat angles C4'-P-C4' energy: -115.064 flat angles P-C4'-P energy: -63.837 tors. eta vs tors. theta energy: -73.557 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 63 Temperature: 1.250000 Total energy: -758.608366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -758.608366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -758.608366 (E_RNA) where: Base-Base interactions energy: -363.341 where: short stacking energy: -196.268 Base-Backbone interact. energy: 2.399 local terms energy: -397.666511 where: bonds (distance) C4'-P energy: -120.092 bonds (distance) P-C4' energy: -111.549 flat angles C4'-P-C4' energy: -101.198 flat angles P-C4'-P energy: -60.851 tors. eta vs tors. theta energy: -3.977 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: 9, replica: 9 ===================================== Write number: 63 Temperature: 1.300000 Total energy: -555.576520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -555.576520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -555.576520 (E_RNA) where: Base-Base interactions energy: -197.426 where: short stacking energy: -158.847 Base-Backbone interact. energy: 0.650 local terms energy: -358.800937 where: bonds (distance) C4'-P energy: -91.494 bonds (distance) P-C4' energy: -104.294 flat angles C4'-P-C4' energy: -92.118 flat angles P-C4'-P energy: -58.754 tors. eta vs tors. theta energy: -12.142 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: 3 ===================================== Write number: 63 Temperature: 1.350000 Total energy: -472.165937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -472.165937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -472.165937 (E_RNA) where: Base-Base interactions energy: -147.811 where: short stacking energy: -119.540 Base-Backbone interact. energy: 1.239 local terms energy: -325.594019 where: bonds (distance) C4'-P energy: -110.231 bonds (distance) P-C4' energy: -114.563 flat angles C4'-P-C4' energy: -88.981 flat angles P-C4'-P energy: -57.378 tors. eta vs tors. theta energy: 45.559 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: 8 ===================================== Write number: 64 Temperature: 0.900000 Total energy: -1964.480141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1964.480141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1964.480141 (E_RNA) where: Base-Base interactions energy: -1291.471 where: short stacking energy: -524.061 Base-Backbone interact. energy: -5.533 local terms energy: -667.475988 where: bonds (distance) C4'-P energy: -136.713 bonds (distance) P-C4' energy: -145.078 flat angles C4'-P-C4' energy: -136.756 flat angles P-C4'-P energy: -97.265 tors. eta vs tors. theta energy: -151.664 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 64 Temperature: 0.950000 Total energy: -2011.823838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2011.823838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2011.823838 (E_RNA) where: Base-Base interactions energy: -1319.459 where: short stacking energy: -610.579 Base-Backbone interact. energy: -3.575 local terms energy: -688.790450 where: bonds (distance) C4'-P energy: -119.979 bonds (distance) P-C4' energy: -125.514 flat angles C4'-P-C4' energy: -157.722 flat angles P-C4'-P energy: -96.306 tors. eta vs tors. theta energy: -189.269 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: 6 ===================================== Write number: 64 Temperature: 1.000000 Total energy: -1843.747613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1843.747613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1843.747613 (E_RNA) where: Base-Base interactions energy: -1189.980 where: short stacking energy: -525.822 Base-Backbone interact. energy: -2.582 local terms energy: -651.184947 where: bonds (distance) C4'-P energy: -131.121 bonds (distance) P-C4' energy: -136.318 flat angles C4'-P-C4' energy: -153.954 flat angles P-C4'-P energy: -81.033 tors. eta vs tors. theta energy: -148.758 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 64 Temperature: 1.050000 Total energy: -1803.090375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1803.090375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1803.090375 (E_RNA) where: Base-Base interactions energy: -1200.913 where: short stacking energy: -503.326 Base-Backbone interact. energy: -1.462 local terms energy: -600.714696 where: bonds (distance) C4'-P energy: -103.168 bonds (distance) P-C4' energy: -132.860 flat angles C4'-P-C4' energy: -139.268 flat angles P-C4'-P energy: -81.472 tors. eta vs tors. theta energy: -143.946 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 64 Temperature: 1.100000 Total energy: -1541.017521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1541.017521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1541.017521 (E_RNA) where: Base-Base interactions energy: -988.147 where: short stacking energy: -417.822 Base-Backbone interact. energy: -1.788 local terms energy: -551.082454 where: bonds (distance) C4'-P energy: -108.561 bonds (distance) P-C4' energy: -124.438 flat angles C4'-P-C4' energy: -111.733 flat angles P-C4'-P energy: -93.002 tors. eta vs tors. theta energy: -113.348 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: 4 ===================================== Write number: 64 Temperature: 1.150000 Total energy: -1537.776926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1537.776926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1537.776926 (E_RNA) where: Base-Base interactions energy: -1007.596 where: short stacking energy: -417.306 Base-Backbone interact. energy: -0.963 local terms energy: -529.217623 where: bonds (distance) C4'-P energy: -101.678 bonds (distance) P-C4' energy: -130.157 flat angles C4'-P-C4' energy: -114.355 flat angles P-C4'-P energy: -70.749 tors. eta vs tors. theta energy: -112.279 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 64 Temperature: 1.200000 Total energy: -1125.651689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1125.651689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1125.651689 (E_RNA) where: Base-Base interactions energy: -662.717 where: short stacking energy: -315.154 Base-Backbone interact. energy: 1.731 local terms energy: -464.665958 where: bonds (distance) C4'-P energy: -109.618 bonds (distance) P-C4' energy: -110.348 flat angles C4'-P-C4' energy: -120.619 flat angles P-C4'-P energy: -61.628 tors. eta vs tors. theta energy: -62.453 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: 1 ===================================== Write number: 64 Temperature: 1.250000 Total energy: -715.890223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -715.890223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -715.890223 (E_RNA) where: Base-Base interactions energy: -322.971 where: short stacking energy: -181.685 Base-Backbone interact. energy: -1.357 local terms energy: -391.561660 where: bonds (distance) C4'-P energy: -131.153 bonds (distance) P-C4' energy: -112.256 flat angles C4'-P-C4' energy: -103.424 flat angles P-C4'-P energy: -53.957 tors. eta vs tors. theta energy: 9.228 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 64 Temperature: 1.300000 Total energy: -522.496608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -522.496608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -522.496608 (E_RNA) where: Base-Base interactions energy: -169.260 where: short stacking energy: -136.766 Base-Backbone interact. energy: 4.425 local terms energy: -357.661652 where: bonds (distance) C4'-P energy: -123.357 bonds (distance) P-C4' energy: -105.827 flat angles C4'-P-C4' energy: -89.031 flat angles P-C4'-P energy: -76.426 tors. eta vs tors. theta energy: 36.979 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 64 Temperature: 1.350000 Total energy: -493.429939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -493.429939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -493.429939 (E_RNA) where: Base-Base interactions energy: -169.226 where: short stacking energy: -119.415 Base-Backbone interact. energy: 3.503 local terms energy: -327.706489 where: bonds (distance) C4'-P energy: -99.080 bonds (distance) P-C4' energy: -120.531 flat angles C4'-P-C4' energy: -80.680 flat angles P-C4'-P energy: -68.305 tors. eta vs tors. theta energy: 40.890 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: 8 ===================================== Write number: 65 Temperature: 0.900000 Total energy: -1970.269692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1970.269692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1970.269692 (E_RNA) where: Base-Base interactions energy: -1312.866 where: short stacking energy: -557.961 Base-Backbone interact. energy: -3.958 local terms energy: -653.445560 where: bonds (distance) C4'-P energy: -135.865 bonds (distance) P-C4' energy: -138.052 flat angles C4'-P-C4' energy: -127.549 flat angles P-C4'-P energy: -93.986 tors. eta vs tors. theta energy: -157.994 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: 5 ===================================== Write number: 65 Temperature: 0.950000 Total energy: -2012.359455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2012.359455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2012.359455 (E_RNA) where: Base-Base interactions energy: -1351.538 where: short stacking energy: -583.018 Base-Backbone interact. energy: -3.290 local terms energy: -657.531302 where: bonds (distance) C4'-P energy: -120.496 bonds (distance) P-C4' energy: -128.832 flat angles C4'-P-C4' energy: -144.291 flat angles P-C4'-P energy: -87.557 tors. eta vs tors. theta energy: -176.356 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 65 Temperature: 1.000000 Total energy: -1866.022032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1866.022032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1866.022032 (E_RNA) where: Base-Base interactions energy: -1215.275 where: short stacking energy: -519.321 Base-Backbone interact. energy: -4.519 local terms energy: -646.227199 where: bonds (distance) C4'-P energy: -125.622 bonds (distance) P-C4' energy: -142.574 flat angles C4'-P-C4' energy: -141.952 flat angles P-C4'-P energy: -87.291 tors. eta vs tors. theta energy: -148.788 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 65 Temperature: 1.050000 Total energy: -1778.688829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1778.688829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1778.688829 (E_RNA) where: Base-Base interactions energy: -1163.093 where: short stacking energy: -497.801 Base-Backbone interact. energy: -0.171 local terms energy: -615.424943 where: bonds (distance) C4'-P energy: -133.707 bonds (distance) P-C4' energy: -132.986 flat angles C4'-P-C4' energy: -127.810 flat angles P-C4'-P energy: -81.237 tors. eta vs tors. theta energy: -139.683 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: 2 ===================================== Write number: 65 Temperature: 1.100000 Total energy: -1482.490845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1482.490845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1482.490845 (E_RNA) where: Base-Base interactions energy: -949.478 where: short stacking energy: -402.945 Base-Backbone interact. energy: -1.318 local terms energy: -531.694799 where: bonds (distance) C4'-P energy: -124.244 bonds (distance) P-C4' energy: -113.876 flat angles C4'-P-C4' energy: -126.829 flat angles P-C4'-P energy: -79.744 tors. eta vs tors. theta energy: -87.002 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: 6, replica: 4 ===================================== Write number: 65 Temperature: 1.150000 Total energy: -1564.709302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1564.709302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1564.709302 (E_RNA) where: Base-Base interactions energy: -999.322 where: short stacking energy: -427.589 Base-Backbone interact. energy: -3.515 local terms energy: -561.871987 where: bonds (distance) C4'-P energy: -108.439 bonds (distance) P-C4' energy: -114.085 flat angles C4'-P-C4' energy: -129.978 flat angles P-C4'-P energy: -83.347 tors. eta vs tors. theta energy: -126.024 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: 7, replica: 7 ===================================== Write number: 65 Temperature: 1.200000 Total energy: -1109.108428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1109.108428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1109.108428 (E_RNA) where: Base-Base interactions energy: -673.327 where: short stacking energy: -317.010 Base-Backbone interact. energy: 0.682 local terms energy: -436.463644 where: bonds (distance) C4'-P energy: -88.589 bonds (distance) P-C4' energy: -112.264 flat angles C4'-P-C4' energy: -102.794 flat angles P-C4'-P energy: -74.740 tors. eta vs tors. theta energy: -58.076 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: 1 ===================================== Write number: 65 Temperature: 1.250000 Total energy: -738.813795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -738.813795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -738.813795 (E_RNA) where: Base-Base interactions energy: -360.219 where: short stacking energy: -205.941 Base-Backbone interact. energy: 2.300 local terms energy: -380.894126 where: bonds (distance) C4'-P energy: -94.878 bonds (distance) P-C4' energy: -122.381 flat angles C4'-P-C4' energy: -102.756 flat angles P-C4'-P energy: -61.301 tors. eta vs tors. theta energy: 0.422 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 65 Temperature: 1.300000 Total energy: -522.509084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -522.509084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -522.509084 (E_RNA) where: Base-Base interactions energy: -191.991 where: short stacking energy: -159.528 Base-Backbone interact. energy: 1.600 local terms energy: -332.117654 where: bonds (distance) C4'-P energy: -101.567 bonds (distance) P-C4' energy: -108.690 flat angles C4'-P-C4' energy: -101.666 flat angles P-C4'-P energy: -43.214 tors. eta vs tors. theta energy: 23.019 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 65 Temperature: 1.350000 Total energy: -478.947368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -478.947368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -478.947368 (E_RNA) where: Base-Base interactions energy: -154.883 where: short stacking energy: -92.787 Base-Backbone interact. energy: 3.106 local terms energy: -327.170002 where: bonds (distance) C4'-P energy: -98.862 bonds (distance) P-C4' energy: -128.181 flat angles C4'-P-C4' energy: -84.655 flat angles P-C4'-P energy: -56.898 tors. eta vs tors. theta energy: 41.427 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: 5 ===================================== Write number: 66 Temperature: 0.900000 Total energy: -2061.780174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2061.780174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2061.780174 (E_RNA) where: Base-Base interactions energy: -1360.684 where: short stacking energy: -592.997 Base-Backbone interact. energy: -3.265 local terms energy: -697.831221 where: bonds (distance) C4'-P energy: -143.148 bonds (distance) P-C4' energy: -146.121 flat angles C4'-P-C4' energy: -140.820 flat angles P-C4'-P energy: -88.678 tors. eta vs tors. theta energy: -179.065 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: 8 ===================================== Write number: 66 Temperature: 0.950000 Total energy: -1922.034052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1922.034052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1922.034052 (E_RNA) where: Base-Base interactions energy: -1265.352 where: short stacking energy: -516.936 Base-Backbone interact. energy: -3.895 local terms energy: -652.786596 where: bonds (distance) C4'-P energy: -133.465 bonds (distance) P-C4' energy: -132.685 flat angles C4'-P-C4' energy: -144.758 flat angles P-C4'-P energy: -91.667 tors. eta vs tors. theta energy: -150.211 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 66 Temperature: 1.000000 Total energy: -1822.597613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1822.597613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1822.597613 (E_RNA) where: Base-Base interactions energy: -1211.275 where: short stacking energy: -533.311 Base-Backbone interact. energy: -2.721 local terms energy: -608.601410 where: bonds (distance) C4'-P energy: -133.294 bonds (distance) P-C4' energy: -91.528 flat angles C4'-P-C4' energy: -134.039 flat angles P-C4'-P energy: -93.125 tors. eta vs tors. theta energy: -156.616 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: 10 ===================================== Write number: 66 Temperature: 1.050000 Total energy: -1745.292479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1745.292479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1745.292479 (E_RNA) where: Base-Base interactions energy: -1134.306 where: short stacking energy: -499.553 Base-Backbone interact. energy: -4.594 local terms energy: -606.392276 where: bonds (distance) C4'-P energy: -115.380 bonds (distance) P-C4' energy: -132.301 flat angles C4'-P-C4' energy: -146.089 flat angles P-C4'-P energy: -74.102 tors. eta vs tors. theta energy: -138.521 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: 5, replica: 4 ===================================== Write number: 66 Temperature: 1.100000 Total energy: -1644.341078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1644.341078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1644.341078 (E_RNA) where: Base-Base interactions energy: -1077.690 where: short stacking energy: -451.892 Base-Backbone interact. energy: -1.454 local terms energy: -565.197070 where: bonds (distance) C4'-P energy: -120.240 bonds (distance) P-C4' energy: -121.484 flat angles C4'-P-C4' energy: -123.092 flat angles P-C4'-P energy: -68.572 tors. eta vs tors. theta energy: -131.810 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 66 Temperature: 1.150000 Total energy: -1360.987641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1360.987641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1360.987641 (E_RNA) where: Base-Base interactions energy: -854.138 where: short stacking energy: -346.043 Base-Backbone interact. energy: -0.331 local terms energy: -506.718660 where: bonds (distance) C4'-P energy: -102.016 bonds (distance) P-C4' energy: -110.612 flat angles C4'-P-C4' energy: -126.863 flat angles P-C4'-P energy: -80.689 tors. eta vs tors. theta energy: -86.539 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.199 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 66 Temperature: 1.200000 Total energy: -1062.358937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1062.358937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1062.358937 (E_RNA) where: Base-Base interactions energy: -612.547 where: short stacking energy: -288.846 Base-Backbone interact. energy: 3.693 local terms energy: -453.504904 where: bonds (distance) C4'-P energy: -112.316 bonds (distance) P-C4' energy: -118.705 flat angles C4'-P-C4' energy: -114.061 flat angles P-C4'-P energy: -70.784 tors. eta vs tors. theta energy: -37.639 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 66 Temperature: 1.250000 Total energy: -769.317559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -769.317559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -769.317559 (E_RNA) where: Base-Base interactions energy: -362.264 where: short stacking energy: -201.182 Base-Backbone interact. energy: 1.811 local terms energy: -408.865329 where: bonds (distance) C4'-P energy: -93.825 bonds (distance) P-C4' energy: -131.383 flat angles C4'-P-C4' energy: -106.213 flat angles P-C4'-P energy: -65.358 tors. eta vs tors. theta energy: -12.086 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 66 Temperature: 1.300000 Total energy: -500.411870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -500.411870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -500.411870 (E_RNA) where: Base-Base interactions energy: -161.376 where: short stacking energy: -132.536 Base-Backbone interact. energy: 1.310 local terms energy: -340.345642 where: bonds (distance) C4'-P energy: -112.812 bonds (distance) P-C4' energy: -111.974 flat angles C4'-P-C4' energy: -87.150 flat angles P-C4'-P energy: -55.910 tors. eta vs tors. theta energy: 27.500 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: 9 ===================================== Write number: 66 Temperature: 1.350000 Total energy: -487.106534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -487.106534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -487.106534 (E_RNA) where: Base-Base interactions energy: -141.570 where: short stacking energy: -118.607 Base-Backbone interact. energy: -1.831 local terms energy: -343.705124 where: bonds (distance) C4'-P energy: -109.471 bonds (distance) P-C4' energy: -107.906 flat angles C4'-P-C4' energy: -96.787 flat angles P-C4'-P energy: -49.439 tors. eta vs tors. theta energy: 19.899 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 67 Temperature: 0.900000 Total energy: -2058.173792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2058.173792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2058.173792 (E_RNA) where: Base-Base interactions energy: -1348.714 where: short stacking energy: -600.973 Base-Backbone interact. energy: -0.222 local terms energy: -709.237683 where: bonds (distance) C4'-P energy: -132.175 bonds (distance) P-C4' energy: -135.288 flat angles C4'-P-C4' energy: -149.222 flat angles P-C4'-P energy: -112.146 tors. eta vs tors. theta energy: -180.407 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 67 Temperature: 0.950000 Total energy: -1909.457262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1909.457262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1909.457262 (E_RNA) where: Base-Base interactions energy: -1275.174 where: short stacking energy: -512.989 Base-Backbone interact. energy: 0.825 local terms energy: -635.108717 where: bonds (distance) C4'-P energy: -130.846 bonds (distance) P-C4' energy: -127.616 flat angles C4'-P-C4' energy: -143.778 flat angles P-C4'-P energy: -83.920 tors. eta vs tors. theta energy: -148.950 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 67 Temperature: 1.000000 Total energy: -1791.803504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1791.803504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1791.803504 (E_RNA) where: Base-Base interactions energy: -1166.177 where: short stacking energy: -527.379 Base-Backbone interact. energy: -1.983 local terms energy: -623.644236 where: bonds (distance) C4'-P energy: -120.173 bonds (distance) P-C4' energy: -126.221 flat angles C4'-P-C4' energy: -138.278 flat angles P-C4'-P energy: -93.693 tors. eta vs tors. theta energy: -145.280 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 67 Temperature: 1.050000 Total energy: -1769.057076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1769.057076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1769.057076 (E_RNA) where: Base-Base interactions energy: -1172.407 where: short stacking energy: -501.242 Base-Backbone interact. energy: -1.414 local terms energy: -595.236082 where: bonds (distance) C4'-P energy: -116.089 bonds (distance) P-C4' energy: -117.816 flat angles C4'-P-C4' energy: -132.306 flat angles P-C4'-P energy: -91.846 tors. eta vs tors. theta energy: -137.180 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: 5, replica: 4 ===================================== Write number: 67 Temperature: 1.100000 Total energy: -1621.281017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1621.281017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1621.281017 (E_RNA) where: Base-Base interactions energy: -1070.665 where: short stacking energy: -431.439 Base-Backbone interact. energy: -4.009 local terms energy: -546.607304 where: bonds (distance) C4'-P energy: -92.084 bonds (distance) P-C4' energy: -118.811 flat angles C4'-P-C4' energy: -127.618 flat angles P-C4'-P energy: -99.185 tors. eta vs tors. theta energy: -108.909 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 67 Temperature: 1.150000 Total energy: -1303.357029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1303.357029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1303.357029 (E_RNA) where: Base-Base interactions energy: -790.945 where: short stacking energy: -344.876 Base-Backbone interact. energy: -2.771 local terms energy: -509.641608 where: bonds (distance) C4'-P energy: -115.730 bonds (distance) P-C4' energy: -117.116 flat angles C4'-P-C4' energy: -132.228 flat angles P-C4'-P energy: -60.334 tors. eta vs tors. theta energy: -84.233 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 67 Temperature: 1.200000 Total energy: -1048.271082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1048.271082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1048.271082 (E_RNA) where: Base-Base interactions energy: -609.840 where: short stacking energy: -283.758 Base-Backbone interact. energy: -0.528 local terms energy: -437.903030 where: bonds (distance) C4'-P energy: -106.769 bonds (distance) P-C4' energy: -126.796 flat angles C4'-P-C4' energy: -102.916 flat angles P-C4'-P energy: -57.792 tors. eta vs tors. theta energy: -43.630 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 67 Temperature: 1.250000 Total energy: -807.169575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -807.169575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -807.169575 (E_RNA) where: Base-Base interactions energy: -386.997 where: short stacking energy: -199.776 Base-Backbone interact. energy: -0.598 local terms energy: -419.574605 where: bonds (distance) C4'-P energy: -120.442 bonds (distance) P-C4' energy: -106.092 flat angles C4'-P-C4' energy: -120.691 flat angles P-C4'-P energy: -72.314 tors. eta vs tors. theta energy: -0.036 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 67 Temperature: 1.300000 Total energy: -536.292412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -536.292412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -536.292412 (E_RNA) where: Base-Base interactions energy: -195.387 where: short stacking energy: -175.005 Base-Backbone interact. energy: -2.235 local terms energy: -338.671053 where: bonds (distance) C4'-P energy: -97.633 bonds (distance) P-C4' energy: -95.065 flat angles C4'-P-C4' energy: -96.382 flat angles P-C4'-P energy: -57.343 tors. eta vs tors. theta energy: 7.751 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: 9 ===================================== Write number: 67 Temperature: 1.350000 Total energy: -489.900333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -489.900333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -489.900333 (E_RNA) where: Base-Base interactions energy: -176.973 where: short stacking energy: -134.652 Base-Backbone interact. energy: 2.195 local terms energy: -315.122489 where: bonds (distance) C4'-P energy: -110.189 bonds (distance) P-C4' energy: -102.525 flat angles C4'-P-C4' energy: -94.598 flat angles P-C4'-P energy: -42.521 tors. eta vs tors. theta energy: 34.710 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 68 Temperature: 0.900000 Total energy: -2050.477187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2050.477187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2050.477187 (E_RNA) where: Base-Base interactions energy: -1364.508 where: short stacking energy: -590.514 Base-Backbone interact. energy: -0.810 local terms energy: -685.159184 where: bonds (distance) C4'-P energy: -141.404 bonds (distance) P-C4' energy: -129.342 flat angles C4'-P-C4' energy: -148.246 flat angles P-C4'-P energy: -90.497 tors. eta vs tors. theta energy: -175.670 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 68 Temperature: 0.950000 Total energy: -1923.728284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1923.728284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1923.728284 (E_RNA) where: Base-Base interactions energy: -1302.393 where: short stacking energy: -492.918 Base-Backbone interact. energy: -1.477 local terms energy: -619.857426 where: bonds (distance) C4'-P energy: -125.131 bonds (distance) P-C4' energy: -129.780 flat angles C4'-P-C4' energy: -147.498 flat angles P-C4'-P energy: -77.495 tors. eta vs tors. theta energy: -139.953 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 68 Temperature: 1.000000 Total energy: -1785.502814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1785.502814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1785.502814 (E_RNA) where: Base-Base interactions energy: -1165.408 where: short stacking energy: -507.119 Base-Backbone interact. energy: -2.106 local terms energy: -617.989170 where: bonds (distance) C4'-P energy: -125.323 bonds (distance) P-C4' energy: -116.310 flat angles C4'-P-C4' energy: -141.742 flat angles P-C4'-P energy: -94.979 tors. eta vs tors. theta energy: -139.634 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: 10 ===================================== Write number: 68 Temperature: 1.050000 Total energy: -1784.239384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1784.239384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1784.239384 (E_RNA) where: Base-Base interactions energy: -1177.557 where: short stacking energy: -519.153 Base-Backbone interact. energy: -1.429 local terms energy: -605.252984 where: bonds (distance) C4'-P energy: -126.277 bonds (distance) P-C4' energy: -117.716 flat angles C4'-P-C4' energy: -132.591 flat angles P-C4'-P energy: -76.396 tors. eta vs tors. theta energy: -152.274 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 68 Temperature: 1.100000 Total energy: -1649.208744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1649.208744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1649.208744 (E_RNA) where: Base-Base interactions energy: -1074.867 where: short stacking energy: -447.392 Base-Backbone interact. energy: 0.289 local terms energy: -574.630121 where: bonds (distance) C4'-P energy: -127.873 bonds (distance) P-C4' energy: -123.908 flat angles C4'-P-C4' energy: -132.646 flat angles P-C4'-P energy: -81.478 tors. eta vs tors. theta energy: -108.725 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 68 Temperature: 1.150000 Total energy: -1169.737272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1169.737272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1169.737272 (E_RNA) where: Base-Base interactions energy: -709.855 where: short stacking energy: -301.532 Base-Backbone interact. energy: 4.422 local terms energy: -464.304648 where: bonds (distance) C4'-P energy: -120.414 bonds (distance) P-C4' energy: -103.278 flat angles C4'-P-C4' energy: -107.730 flat angles P-C4'-P energy: -82.072 tors. eta vs tors. theta energy: -50.811 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: 68 Temperature: 1.200000 Total energy: -1067.355419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1067.355419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1067.355419 (E_RNA) where: Base-Base interactions energy: -593.968 where: short stacking energy: -316.375 Base-Backbone interact. energy: 1.779 local terms energy: -475.166202 where: bonds (distance) C4'-P energy: -123.588 bonds (distance) P-C4' energy: -115.998 flat angles C4'-P-C4' energy: -110.910 flat angles P-C4'-P energy: -73.626 tors. eta vs tors. theta energy: -51.043 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: 1 ===================================== Write number: 68 Temperature: 1.250000 Total energy: -784.796709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -784.796709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -784.796709 (E_RNA) where: Base-Base interactions energy: -387.914 where: short stacking energy: -227.804 Base-Backbone interact. energy: 0.356 local terms energy: -397.238609 where: bonds (distance) C4'-P energy: -98.532 bonds (distance) P-C4' energy: -118.252 flat angles C4'-P-C4' energy: -105.991 flat angles P-C4'-P energy: -74.710 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: 9, replica: 3 ===================================== Write number: 68 Temperature: 1.300000 Total energy: -508.289947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -508.289947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -508.289947 (E_RNA) where: Base-Base interactions energy: -151.192 where: short stacking energy: -117.245 Base-Backbone interact. energy: 1.606 local terms energy: -358.704464 where: bonds (distance) C4'-P energy: -128.942 bonds (distance) P-C4' energy: -110.448 flat angles C4'-P-C4' energy: -90.870 flat angles P-C4'-P energy: -56.016 tors. eta vs tors. theta energy: 27.571 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 68 Temperature: 1.350000 Total energy: -501.270431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -501.270431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -501.270431 (E_RNA) where: Base-Base interactions energy: -152.160 where: short stacking energy: -109.739 Base-Backbone interact. energy: 4.418 local terms energy: -353.528439 where: bonds (distance) C4'-P energy: -120.326 bonds (distance) P-C4' energy: -117.041 flat angles C4'-P-C4' energy: -72.381 flat angles P-C4'-P energy: -69.179 tors. eta vs tors. theta energy: 25.399 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 69 Temperature: 0.900000 Total energy: -2031.635624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2031.635624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2031.635624 (E_RNA) where: Base-Base interactions energy: -1348.867 where: short stacking energy: -620.776 Base-Backbone interact. energy: -3.535 local terms energy: -679.233296 where: bonds (distance) C4'-P energy: -130.377 bonds (distance) P-C4' energy: -124.404 flat angles C4'-P-C4' energy: -145.540 flat angles P-C4'-P energy: -93.484 tors. eta vs tors. theta energy: -185.428 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: 69 Temperature: 0.950000 Total energy: -1925.239559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1925.239559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1925.239559 (E_RNA) where: Base-Base interactions energy: -1292.665 where: short stacking energy: -511.007 Base-Backbone interact. energy: 0.374 local terms energy: -632.947977 where: bonds (distance) C4'-P energy: -123.098 bonds (distance) P-C4' energy: -138.873 flat angles C4'-P-C4' energy: -140.066 flat angles P-C4'-P energy: -94.914 tors. eta vs tors. theta energy: -135.996 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: 3, replica: 6 ===================================== Write number: 69 Temperature: 1.000000 Total energy: -1841.088077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1841.088077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1841.088077 (E_RNA) where: Base-Base interactions energy: -1181.779 where: short stacking energy: -530.335 Base-Backbone interact. energy: -0.182 local terms energy: -659.127460 where: bonds (distance) C4'-P energy: -135.806 bonds (distance) P-C4' energy: -131.083 flat angles C4'-P-C4' energy: -130.188 flat angles P-C4'-P energy: -100.933 tors. eta vs tors. theta energy: -161.118 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 69 Temperature: 1.050000 Total energy: -1781.390646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1781.390646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1781.390646 (E_RNA) where: Base-Base interactions energy: -1157.502 where: short stacking energy: -485.921 Base-Backbone interact. energy: -0.331 local terms energy: -623.558446 where: bonds (distance) C4'-P energy: -120.019 bonds (distance) P-C4' energy: -125.264 flat angles C4'-P-C4' energy: -142.983 flat angles P-C4'-P energy: -98.225 tors. eta vs tors. theta energy: -137.067 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 69 Temperature: 1.100000 Total energy: -1655.827541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1655.827541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1655.827541 (E_RNA) where: Base-Base interactions energy: -1090.887 where: short stacking energy: -466.319 Base-Backbone interact. energy: -2.356 local terms energy: -562.584277 where: bonds (distance) C4'-P energy: -125.126 bonds (distance) P-C4' energy: -111.939 flat angles C4'-P-C4' energy: -131.074 flat angles P-C4'-P energy: -69.141 tors. eta vs tors. theta energy: -125.304 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 69 Temperature: 1.150000 Total energy: -1210.574109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1210.574109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1210.574109 (E_RNA) where: Base-Base interactions energy: -743.023 where: short stacking energy: -324.990 Base-Backbone interact. energy: -0.081 local terms energy: -467.887362 where: bonds (distance) C4'-P energy: -107.597 bonds (distance) P-C4' energy: -115.542 flat angles C4'-P-C4' energy: -107.092 flat angles P-C4'-P energy: -71.286 tors. eta vs tors. theta energy: -66.370 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.417 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 69 Temperature: 1.200000 Total energy: -1010.656048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1010.656048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1010.656048 (E_RNA) where: Base-Base interactions energy: -555.979 where: short stacking energy: -302.025 Base-Backbone interact. energy: -3.223 local terms energy: -451.454106 where: bonds (distance) C4'-P energy: -123.519 bonds (distance) P-C4' energy: -107.800 flat angles C4'-P-C4' energy: -113.175 flat angles P-C4'-P energy: -59.449 tors. eta vs tors. theta energy: -47.510 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 69 Temperature: 1.250000 Total energy: -800.791039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -800.791039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -800.791039 (E_RNA) where: Base-Base interactions energy: -381.282 where: short stacking energy: -192.609 Base-Backbone interact. energy: 4.008 local terms energy: -423.517057 where: bonds (distance) C4'-P energy: -111.949 bonds (distance) P-C4' energy: -118.306 flat angles C4'-P-C4' energy: -108.764 flat angles P-C4'-P energy: -68.183 tors. eta vs tors. theta energy: -16.314 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: 3 ===================================== Write number: 69 Temperature: 1.300000 Total energy: -543.005163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -543.005163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -543.005163 (E_RNA) where: Base-Base interactions energy: -196.249 where: short stacking energy: -150.814 Base-Backbone interact. energy: 5.284 local terms energy: -352.039599 where: bonds (distance) C4'-P energy: -110.424 bonds (distance) P-C4' energy: -96.797 flat angles C4'-P-C4' energy: -114.678 flat angles P-C4'-P energy: -45.050 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: 10, replica: 9 ===================================== Write number: 69 Temperature: 1.350000 Total energy: -547.542930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -547.542930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -547.542930 (E_RNA) where: Base-Base interactions energy: -199.748 where: short stacking energy: -151.594 Base-Backbone interact. energy: 3.357 local terms energy: -351.152129 where: bonds (distance) C4'-P energy: -103.847 bonds (distance) P-C4' energy: -113.976 flat angles C4'-P-C4' energy: -87.815 flat angles P-C4'-P energy: -58.071 tors. eta vs tors. theta energy: 12.558 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 70 Temperature: 0.900000 Total energy: -2056.516409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2056.516409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2056.516409 (E_RNA) where: Base-Base interactions energy: -1365.998 where: short stacking energy: -616.216 Base-Backbone interact. energy: -0.466 local terms energy: -690.052886 where: bonds (distance) C4'-P energy: -133.345 bonds (distance) P-C4' energy: -130.541 flat angles C4'-P-C4' energy: -144.662 flat angles P-C4'-P energy: -100.015 tors. eta vs tors. theta energy: -181.491 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 70 Temperature: 0.950000 Total energy: -1926.263251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1926.263251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1926.263251 (E_RNA) where: Base-Base interactions energy: -1288.578 where: short stacking energy: -510.436 Base-Backbone interact. energy: -1.608 local terms energy: -636.076862 where: bonds (distance) C4'-P energy: -132.204 bonds (distance) P-C4' energy: -131.390 flat angles C4'-P-C4' energy: -144.748 flat angles P-C4'-P energy: -84.931 tors. eta vs tors. theta energy: -142.803 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 70 Temperature: 1.000000 Total energy: -1821.023649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1821.023649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1821.023649 (E_RNA) where: Base-Base interactions energy: -1200.460 where: short stacking energy: -504.573 Base-Backbone interact. energy: -2.014 local terms energy: -618.549823 where: bonds (distance) C4'-P energy: -119.721 bonds (distance) P-C4' energy: -109.909 flat angles C4'-P-C4' energy: -153.724 flat angles P-C4'-P energy: -95.057 tors. eta vs tors. theta energy: -140.139 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 70 Temperature: 1.050000 Total energy: -1771.532898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1771.532898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1771.532898 (E_RNA) where: Base-Base interactions energy: -1151.307 where: short stacking energy: -488.154 Base-Backbone interact. energy: 1.885 local terms energy: -622.111044 where: bonds (distance) C4'-P energy: -120.971 bonds (distance) P-C4' energy: -135.913 flat angles C4'-P-C4' energy: -136.103 flat angles P-C4'-P energy: -77.954 tors. eta vs tors. theta energy: -151.171 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: 4 ===================================== Write number: 70 Temperature: 1.100000 Total energy: -1665.305433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1665.305433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1665.305433 (E_RNA) where: Base-Base interactions energy: -1077.218 where: short stacking energy: -436.048 Base-Backbone interact. energy: -2.329 local terms energy: -585.758386 where: bonds (distance) C4'-P energy: -127.139 bonds (distance) P-C4' energy: -129.640 flat angles C4'-P-C4' energy: -130.746 flat angles P-C4'-P energy: -80.700 tors. eta vs tors. theta energy: -117.533 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 70 Temperature: 1.150000 Total energy: -1234.085914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1234.085914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1234.085914 (E_RNA) where: Base-Base interactions energy: -695.009 where: short stacking energy: -339.298 Base-Backbone interact. energy: -3.538 local terms energy: -535.749233 where: bonds (distance) C4'-P energy: -110.830 bonds (distance) P-C4' energy: -134.218 flat angles C4'-P-C4' energy: -114.880 flat angles P-C4'-P energy: -93.578 tors. eta vs tors. theta energy: -82.243 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.211 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 70 Temperature: 1.200000 Total energy: -1065.666221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1065.666221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1065.666221 (E_RNA) where: Base-Base interactions energy: -624.966 where: short stacking energy: -287.324 Base-Backbone interact. energy: 1.452 local terms energy: -442.151937 where: bonds (distance) C4'-P energy: -126.892 bonds (distance) P-C4' energy: -123.547 flat angles C4'-P-C4' energy: -96.417 flat angles P-C4'-P energy: -50.281 tors. eta vs tors. theta energy: -45.015 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: 1 ===================================== Write number: 70 Temperature: 1.250000 Total energy: -827.688987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -827.688987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -827.688987 (E_RNA) where: Base-Base interactions energy: -408.055 where: short stacking energy: -215.819 Base-Backbone interact. energy: 1.155 local terms energy: -420.789448 where: bonds (distance) C4'-P energy: -121.466 bonds (distance) P-C4' energy: -104.623 flat angles C4'-P-C4' energy: -93.307 flat angles P-C4'-P energy: -72.349 tors. eta vs tors. theta energy: -29.044 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 70 Temperature: 1.300000 Total energy: -560.479075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -560.479075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -560.479075 (E_RNA) where: Base-Base interactions energy: -200.964 where: short stacking energy: -134.011 Base-Backbone interact. energy: 0.489 local terms energy: -361.548046 where: bonds (distance) C4'-P energy: -112.729 bonds (distance) P-C4' energy: -124.808 flat angles C4'-P-C4' energy: -74.296 flat angles P-C4'-P energy: -73.050 tors. eta vs tors. theta energy: 23.335 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 1.544 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 70 Temperature: 1.350000 Total energy: -499.182240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -499.182240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -499.182240 (E_RNA) where: Base-Base interactions energy: -125.729 where: short stacking energy: -105.067 Base-Backbone interact. energy: 2.644 local terms energy: -376.097104 where: bonds (distance) C4'-P energy: -106.661 bonds (distance) P-C4' energy: -135.932 flat angles C4'-P-C4' energy: -101.559 flat angles P-C4'-P energy: -62.866 tors. eta vs tors. theta energy: 30.920 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 71 Temperature: 0.900000 Total energy: -2082.564438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2082.564438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2082.564438 (E_RNA) where: Base-Base interactions energy: -1380.197 where: short stacking energy: -632.796 Base-Backbone interact. energy: 0.326 local terms energy: -702.693927 where: bonds (distance) C4'-P energy: -127.870 bonds (distance) P-C4' energy: -136.468 flat angles C4'-P-C4' energy: -151.958 flat angles P-C4'-P energy: -100.109 tors. eta vs tors. theta energy: -186.289 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: 8 ===================================== Write number: 71 Temperature: 0.950000 Total energy: -1913.948097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1913.948097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1913.948097 (E_RNA) where: Base-Base interactions energy: -1291.654 where: short stacking energy: -522.661 Base-Backbone interact. energy: 6.330 local terms energy: -628.623874 where: bonds (distance) C4'-P energy: -127.951 bonds (distance) P-C4' energy: -125.115 flat angles C4'-P-C4' energy: -138.741 flat angles P-C4'-P energy: -90.539 tors. eta vs tors. theta energy: -146.278 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 71 Temperature: 1.000000 Total energy: -1854.185419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1854.185419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1854.185419 (E_RNA) where: Base-Base interactions energy: -1217.229 where: short stacking energy: -529.274 Base-Backbone interact. energy: 3.395 local terms energy: -640.352396 where: bonds (distance) C4'-P energy: -124.047 bonds (distance) P-C4' energy: -127.472 flat angles C4'-P-C4' energy: -130.173 flat angles P-C4'-P energy: -112.033 tors. eta vs tors. theta energy: -146.628 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: 10 ===================================== Write number: 71 Temperature: 1.050000 Total energy: -1777.233653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1777.233653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1777.233653 (E_RNA) where: Base-Base interactions energy: -1179.013 where: short stacking energy: -489.227 Base-Backbone interact. energy: -1.656 local terms energy: -596.564849 where: bonds (distance) C4'-P energy: -118.175 bonds (distance) P-C4' energy: -124.644 flat angles C4'-P-C4' energy: -130.993 flat angles P-C4'-P energy: -87.462 tors. eta vs tors. theta energy: -135.291 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: 4 ===================================== Write number: 71 Temperature: 1.100000 Total energy: -1577.578218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1577.578218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1577.578218 (E_RNA) where: Base-Base interactions energy: -1046.675 where: short stacking energy: -445.996 Base-Backbone interact. energy: -5.388 local terms energy: -525.514767 where: bonds (distance) C4'-P energy: -94.341 bonds (distance) P-C4' energy: -114.401 flat angles C4'-P-C4' energy: -130.996 flat angles P-C4'-P energy: -67.468 tors. eta vs tors. theta energy: -118.309 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: 6, replica: 2 ===================================== Write number: 71 Temperature: 1.150000 Total energy: -1279.815775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1279.815775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1279.815775 (E_RNA) where: Base-Base interactions energy: -786.400 where: short stacking energy: -375.375 Base-Backbone interact. energy: 2.013 local terms energy: -495.429240 where: bonds (distance) C4'-P energy: -105.346 bonds (distance) P-C4' energy: -113.544 flat angles C4'-P-C4' energy: -122.312 flat angles P-C4'-P energy: -72.304 tors. eta vs tors. theta energy: -81.923 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: 71 Temperature: 1.200000 Total energy: -1092.338476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1092.338476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1092.338476 (E_RNA) where: Base-Base interactions energy: -648.204 where: short stacking energy: -318.046 Base-Backbone interact. energy: -1.474 local terms energy: -442.660864 where: bonds (distance) C4'-P energy: -89.125 bonds (distance) P-C4' energy: -127.604 flat angles C4'-P-C4' energy: -107.228 flat angles P-C4'-P energy: -64.239 tors. eta vs tors. theta energy: -54.464 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 71 Temperature: 1.250000 Total energy: -836.655282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -836.655282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -836.655282 (E_RNA) where: Base-Base interactions energy: -426.063 where: short stacking energy: -222.856 Base-Backbone interact. energy: -0.957 local terms energy: -409.635283 where: bonds (distance) C4'-P energy: -118.388 bonds (distance) P-C4' energy: -121.999 flat angles C4'-P-C4' energy: -100.165 flat angles P-C4'-P energy: -60.422 tors. eta vs tors. theta energy: -8.661 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 71 Temperature: 1.300000 Total energy: -514.954914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -514.954914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -514.954914 (E_RNA) where: Base-Base interactions energy: -173.600 where: short stacking energy: -132.291 Base-Backbone interact. energy: -1.714 local terms energy: -339.803478 where: bonds (distance) C4'-P energy: -97.640 bonds (distance) P-C4' energy: -106.414 flat angles C4'-P-C4' energy: -97.596 flat angles P-C4'-P energy: -65.928 tors. eta vs tors. theta energy: 27.775 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.162 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 71 Temperature: 1.350000 Total energy: -522.561437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -522.561437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -522.561437 (E_RNA) where: Base-Base interactions energy: -216.418 where: short stacking energy: -154.009 Base-Backbone interact. energy: 0.476 local terms energy: -306.619247 where: bonds (distance) C4'-P energy: -81.308 bonds (distance) P-C4' energy: -111.394 flat angles C4'-P-C4' energy: -77.359 flat angles P-C4'-P energy: -53.756 tors. eta vs tors. theta energy: 17.198 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 72 Temperature: 0.900000 Total energy: -2093.238727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2093.238727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2093.238727 (E_RNA) where: Base-Base interactions energy: -1374.040 where: short stacking energy: -621.707 Base-Backbone interact. energy: -3.256 local terms energy: -715.943445 where: bonds (distance) C4'-P energy: -136.052 bonds (distance) P-C4' energy: -140.998 flat angles C4'-P-C4' energy: -152.534 flat angles P-C4'-P energy: -110.079 tors. eta vs tors. theta energy: -176.281 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: 2, replica: 8 ===================================== Write number: 72 Temperature: 0.950000 Total energy: -1954.651291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1954.651291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1954.651291 (E_RNA) where: Base-Base interactions energy: -1320.439 where: short stacking energy: -523.989 Base-Backbone interact. energy: 6.165 local terms energy: -640.377150 where: bonds (distance) C4'-P energy: -136.297 bonds (distance) P-C4' energy: -120.635 flat angles C4'-P-C4' energy: -138.772 flat angles P-C4'-P energy: -94.972 tors. eta vs tors. theta energy: -149.701 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: 10 ===================================== Write number: 72 Temperature: 1.000000 Total energy: -1840.910346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1840.910346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1840.910346 (E_RNA) where: Base-Base interactions energy: -1218.552 where: short stacking energy: -505.010 Base-Backbone interact. energy: -2.277 local terms energy: -620.081646 where: bonds (distance) C4'-P energy: -112.503 bonds (distance) P-C4' energy: -137.519 flat angles C4'-P-C4' energy: -132.526 flat angles P-C4'-P energy: -90.837 tors. eta vs tors. theta energy: -146.696 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 72 Temperature: 1.050000 Total energy: -1782.689527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1782.689527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1782.689527 (E_RNA) where: Base-Base interactions energy: -1167.925 where: short stacking energy: -495.249 Base-Backbone interact. energy: -2.023 local terms energy: -612.741112 where: bonds (distance) C4'-P energy: -122.310 bonds (distance) P-C4' energy: -124.279 flat angles C4'-P-C4' energy: -139.723 flat angles P-C4'-P energy: -84.047 tors. eta vs tors. theta energy: -142.382 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: 4 ===================================== Write number: 72 Temperature: 1.100000 Total energy: -1650.795992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1650.795992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1650.795992 (E_RNA) where: Base-Base interactions energy: -1100.498 where: short stacking energy: -447.846 Base-Backbone interact. energy: -3.927 local terms energy: -546.370731 where: bonds (distance) C4'-P energy: -105.046 bonds (distance) P-C4' energy: -106.521 flat angles C4'-P-C4' energy: -129.912 flat angles P-C4'-P energy: -81.959 tors. eta vs tors. theta energy: -122.933 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: 2 ===================================== Write number: 72 Temperature: 1.150000 Total energy: -1252.325257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1252.325257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1252.325257 (E_RNA) where: Base-Base interactions energy: -748.457 where: short stacking energy: -361.240 Base-Backbone interact. energy: 3.753 local terms energy: -507.621128 where: bonds (distance) C4'-P energy: -137.416 bonds (distance) P-C4' energy: -102.548 flat angles C4'-P-C4' energy: -121.480 flat angles P-C4'-P energy: -67.309 tors. eta vs tors. theta energy: -78.869 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 72 Temperature: 1.200000 Total energy: -1093.322724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1093.322724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1093.322724 (E_RNA) where: Base-Base interactions energy: -629.653 where: short stacking energy: -298.025 Base-Backbone interact. energy: -1.506 local terms energy: -462.163326 where: bonds (distance) C4'-P energy: -109.345 bonds (distance) P-C4' energy: -129.088 flat angles C4'-P-C4' energy: -115.053 flat angles P-C4'-P energy: -58.369 tors. eta vs tors. theta energy: -50.309 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: 1 ===================================== Write number: 72 Temperature: 1.250000 Total energy: -848.407693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -848.407693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -848.407693 (E_RNA) where: Base-Base interactions energy: -403.902 where: short stacking energy: -222.317 Base-Backbone interact. energy: 7.841 local terms energy: -452.347051 where: bonds (distance) C4'-P energy: -121.414 bonds (distance) P-C4' energy: -128.462 flat angles C4'-P-C4' energy: -119.396 flat angles P-C4'-P energy: -58.132 tors. eta vs tors. theta energy: -24.943 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 72 Temperature: 1.300000 Total energy: -545.415043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -545.415043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -545.415043 (E_RNA) where: Base-Base interactions energy: -187.788 where: short stacking energy: -131.528 Base-Backbone interact. energy: 5.894 local terms energy: -363.520585 where: bonds (distance) C4'-P energy: -112.599 bonds (distance) P-C4' energy: -126.389 flat angles C4'-P-C4' energy: -94.509 flat angles P-C4'-P energy: -73.786 tors. eta vs tors. theta energy: 43.763 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: 9 ===================================== Write number: 72 Temperature: 1.350000 Total energy: -480.478326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -480.478326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -480.478326 (E_RNA) where: Base-Base interactions energy: -190.410 where: short stacking energy: -143.296 Base-Backbone interact. energy: 2.481 local terms energy: -292.549109 where: bonds (distance) C4'-P energy: -97.461 bonds (distance) P-C4' energy: -116.986 flat angles C4'-P-C4' energy: -87.497 flat angles P-C4'-P energy: -33.173 tors. eta vs tors. theta energy: 42.569 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 73 Temperature: 0.900000 Total energy: -2111.016410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2111.016410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2111.016410 (E_RNA) where: Base-Base interactions energy: -1384.070 where: short stacking energy: -611.047 Base-Backbone interact. energy: -1.761 local terms energy: -725.184813 where: bonds (distance) C4'-P energy: -137.021 bonds (distance) P-C4' energy: -139.650 flat angles C4'-P-C4' energy: -152.649 flat angles P-C4'-P energy: -108.498 tors. eta vs tors. theta energy: -187.367 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: 8 ===================================== Write number: 73 Temperature: 0.950000 Total energy: -1940.926785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1940.926785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1940.926785 (E_RNA) where: Base-Base interactions energy: -1282.457 where: short stacking energy: -518.844 Base-Backbone interact. energy: 1.862 local terms energy: -660.331203 where: bonds (distance) C4'-P energy: -131.575 bonds (distance) P-C4' energy: -131.487 flat angles C4'-P-C4' energy: -144.047 flat angles P-C4'-P energy: -97.692 tors. eta vs tors. theta energy: -155.530 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 73 Temperature: 1.000000 Total energy: -1833.960324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1833.960324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1833.960324 (E_RNA) where: Base-Base interactions energy: -1189.801 where: short stacking energy: -546.609 Base-Backbone interact. energy: -1.712 local terms energy: -642.448156 where: bonds (distance) C4'-P energy: -116.621 bonds (distance) P-C4' energy: -135.967 flat angles C4'-P-C4' energy: -146.514 flat angles P-C4'-P energy: -88.489 tors. eta vs tors. theta energy: -154.857 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 73 Temperature: 1.050000 Total energy: -1746.269976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1746.269976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1746.269976 (E_RNA) where: Base-Base interactions energy: -1125.065 where: short stacking energy: -487.901 Base-Backbone interact. energy: -2.842 local terms energy: -618.363508 where: bonds (distance) C4'-P energy: -129.783 bonds (distance) P-C4' energy: -121.328 flat angles C4'-P-C4' energy: -129.512 flat angles P-C4'-P energy: -95.638 tors. eta vs tors. theta energy: -142.103 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 73 Temperature: 1.100000 Total energy: -1602.296341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1602.296341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1602.296341 (E_RNA) where: Base-Base interactions energy: -1029.134 where: short stacking energy: -440.827 Base-Backbone interact. energy: 2.332 local terms energy: -575.494315 where: bonds (distance) C4'-P energy: -125.941 bonds (distance) P-C4' energy: -127.272 flat angles C4'-P-C4' energy: -136.010 flat angles P-C4'-P energy: -68.386 tors. eta vs tors. theta energy: -117.885 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: 2 ===================================== Write number: 73 Temperature: 1.150000 Total energy: -1247.155009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1247.155009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1247.155009 (E_RNA) where: Base-Base interactions energy: -734.680 where: short stacking energy: -337.916 Base-Backbone interact. energy: 2.684 local terms energy: -515.158346 where: bonds (distance) C4'-P energy: -119.023 bonds (distance) P-C4' energy: -132.488 flat angles C4'-P-C4' energy: -112.780 flat angles P-C4'-P energy: -72.946 tors. eta vs tors. theta energy: -77.921 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: 7 ===================================== Write number: 73 Temperature: 1.200000 Total energy: -1101.162797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1101.162797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1101.162797 (E_RNA) where: Base-Base interactions energy: -616.174 where: short stacking energy: -302.175 Base-Backbone interact. energy: -2.124 local terms energy: -482.864849 where: bonds (distance) C4'-P energy: -120.604 bonds (distance) P-C4' energy: -128.083 flat angles C4'-P-C4' energy: -107.314 flat angles P-C4'-P energy: -87.985 tors. eta vs tors. theta energy: -38.879 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 73 Temperature: 1.250000 Total energy: -822.570166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -822.570166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -822.570166 (E_RNA) where: Base-Base interactions energy: -417.087 where: short stacking energy: -212.531 Base-Backbone interact. energy: 2.253 local terms energy: -407.736204 where: bonds (distance) C4'-P energy: -118.775 bonds (distance) P-C4' energy: -115.509 flat angles C4'-P-C4' energy: -94.095 flat angles P-C4'-P energy: -65.531 tors. eta vs tors. theta energy: -13.826 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: 3 ===================================== Write number: 73 Temperature: 1.300000 Total energy: -524.198808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -524.198808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -524.198808 (E_RNA) where: Base-Base interactions energy: -174.841 where: short stacking energy: -124.607 Base-Backbone interact. energy: -3.616 local terms energy: -345.741740 where: bonds (distance) C4'-P energy: -100.441 bonds (distance) P-C4' energy: -128.413 flat angles C4'-P-C4' energy: -95.263 flat angles P-C4'-P energy: -60.385 tors. eta vs tors. theta energy: 38.760 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: 10, replica: 9 ===================================== Write number: 73 Temperature: 1.350000 Total energy: -544.190347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -544.190347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -544.190347 (E_RNA) where: Base-Base interactions energy: -209.575 where: short stacking energy: -148.704 Base-Backbone interact. energy: -1.058 local terms energy: -333.557866 where: bonds (distance) C4'-P energy: -102.702 bonds (distance) P-C4' energy: -105.238 flat angles C4'-P-C4' energy: -95.270 flat angles P-C4'-P energy: -46.989 tors. eta vs tors. theta energy: 16.641 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: 5 ===================================== Write number: 74 Temperature: 0.900000 Total energy: -2101.215993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2101.215993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2101.215993 (E_RNA) where: Base-Base interactions energy: -1390.782 where: short stacking energy: -624.290 Base-Backbone interact. energy: -3.618 local terms energy: -706.816620 where: bonds (distance) C4'-P energy: -135.256 bonds (distance) P-C4' energy: -141.505 flat angles C4'-P-C4' energy: -147.983 flat angles P-C4'-P energy: -101.133 tors. eta vs tors. theta energy: -180.940 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: 8 ===================================== Write number: 74 Temperature: 0.950000 Total energy: -1931.470991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1931.470991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1931.470991 (E_RNA) where: Base-Base interactions energy: -1312.578 where: short stacking energy: -523.459 Base-Backbone interact. energy: 1.419 local terms energy: -620.311875 where: bonds (distance) C4'-P energy: -118.540 bonds (distance) P-C4' energy: -132.084 flat angles C4'-P-C4' energy: -131.617 flat angles P-C4'-P energy: -75.968 tors. eta vs tors. theta energy: -162.103 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 74 Temperature: 1.000000 Total energy: -1800.305099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1800.305099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1800.305099 (E_RNA) where: Base-Base interactions energy: -1179.232 where: short stacking energy: -510.041 Base-Backbone interact. energy: 2.937 local terms energy: -624.010025 where: bonds (distance) C4'-P energy: -135.714 bonds (distance) P-C4' energy: -130.516 flat angles C4'-P-C4' energy: -136.372 flat angles P-C4'-P energy: -88.416 tors. eta vs tors. theta energy: -132.992 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 74 Temperature: 1.050000 Total energy: -1723.123947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1723.123947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1723.123947 (E_RNA) where: Base-Base interactions energy: -1136.906 where: short stacking energy: -487.654 Base-Backbone interact. energy: 0.286 local terms energy: -586.504756 where: bonds (distance) C4'-P energy: -99.595 bonds (distance) P-C4' energy: -142.282 flat angles C4'-P-C4' energy: -131.817 flat angles P-C4'-P energy: -87.048 tors. eta vs tors. theta energy: -125.762 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 74 Temperature: 1.100000 Total energy: -1631.383936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1631.383936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1631.383936 (E_RNA) where: Base-Base interactions energy: -1067.676 where: short stacking energy: -444.251 Base-Backbone interact. energy: 0.574 local terms energy: -564.282144 where: bonds (distance) C4'-P energy: -111.739 bonds (distance) P-C4' energy: -118.160 flat angles C4'-P-C4' energy: -116.412 flat angles P-C4'-P energy: -85.559 tors. eta vs tors. theta energy: -132.412 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 74 Temperature: 1.150000 Total energy: -1312.277664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1312.277664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1312.277664 (E_RNA) where: Base-Base interactions energy: -821.607 where: short stacking energy: -345.646 Base-Backbone interact. energy: -1.397 local terms energy: -489.286545 where: bonds (distance) C4'-P energy: -109.372 bonds (distance) P-C4' energy: -137.116 flat angles C4'-P-C4' energy: -101.752 flat angles P-C4'-P energy: -67.900 tors. eta vs tors. theta energy: -73.147 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.013 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 74 Temperature: 1.200000 Total energy: -1034.023852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1034.023852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1034.023852 (E_RNA) where: Base-Base interactions energy: -601.965 where: short stacking energy: -259.377 Base-Backbone interact. energy: -0.034 local terms energy: -432.024872 where: bonds (distance) C4'-P energy: -126.581 bonds (distance) P-C4' energy: -116.393 flat angles C4'-P-C4' energy: -118.459 flat angles P-C4'-P energy: -53.310 tors. eta vs tors. theta energy: -17.282 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 74 Temperature: 1.250000 Total energy: -858.793235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -858.793235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -858.793235 (E_RNA) where: Base-Base interactions energy: -456.159 where: short stacking energy: -246.629 Base-Backbone interact. energy: -0.703 local terms energy: -401.931390 where: bonds (distance) C4'-P energy: -85.257 bonds (distance) P-C4' energy: -132.254 flat angles C4'-P-C4' energy: -91.732 flat angles P-C4'-P energy: -74.715 tors. eta vs tors. theta energy: -17.973 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: 9, replica: 3 ===================================== Write number: 74 Temperature: 1.300000 Total energy: -548.816638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -548.816638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -548.816638 (E_RNA) where: Base-Base interactions energy: -213.308 where: short stacking energy: -159.557 Base-Backbone interact. energy: 0.523 local terms energy: -336.030985 where: bonds (distance) C4'-P energy: -105.089 bonds (distance) P-C4' energy: -113.187 flat angles C4'-P-C4' energy: -88.975 flat angles P-C4'-P energy: -43.277 tors. eta vs tors. theta energy: 14.497 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 74 Temperature: 1.350000 Total energy: -506.351624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -506.351624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -506.351624 (E_RNA) where: Base-Base interactions energy: -188.813 where: short stacking energy: -153.223 Base-Backbone interact. energy: 5.420 local terms energy: -322.958639 where: bonds (distance) C4'-P energy: -104.577 bonds (distance) P-C4' energy: -116.791 flat angles C4'-P-C4' energy: -65.715 flat angles P-C4'-P energy: -37.857 tors. eta vs tors. theta energy: 1.982 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 75 Temperature: 0.900000 Total energy: -2082.622728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2082.622728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2082.622728 (E_RNA) where: Base-Base interactions energy: -1382.702 where: short stacking energy: -595.479 Base-Backbone interact. energy: -1.442 local terms energy: -698.478582 where: bonds (distance) C4'-P energy: -128.587 bonds (distance) P-C4' energy: -143.423 flat angles C4'-P-C4' energy: -140.649 flat angles P-C4'-P energy: -100.235 tors. eta vs tors. theta energy: -185.585 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: 8 ===================================== Write number: 75 Temperature: 0.950000 Total energy: -1927.657506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1927.657506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1927.657506 (E_RNA) where: Base-Base interactions energy: -1282.563 where: short stacking energy: -524.443 Base-Backbone interact. energy: -1.456 local terms energy: -643.639143 where: bonds (distance) C4'-P energy: -132.906 bonds (distance) P-C4' energy: -124.084 flat angles C4'-P-C4' energy: -147.643 flat angles P-C4'-P energy: -86.632 tors. eta vs tors. theta energy: -152.374 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: 75 Temperature: 1.000000 Total energy: -1801.352196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1801.352196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1801.352196 (E_RNA) where: Base-Base interactions energy: -1173.198 where: short stacking energy: -499.078 Base-Backbone interact. energy: -0.673 local terms energy: -627.480985 where: bonds (distance) C4'-P energy: -119.971 bonds (distance) P-C4' energy: -133.215 flat angles C4'-P-C4' energy: -132.769 flat angles P-C4'-P energy: -99.817 tors. eta vs tors. theta energy: -141.710 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 75 Temperature: 1.050000 Total energy: -1744.686404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1744.686404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1744.686404 (E_RNA) where: Base-Base interactions energy: -1151.809 where: short stacking energy: -482.415 Base-Backbone interact. energy: -2.719 local terms energy: -590.158445 where: bonds (distance) C4'-P energy: -127.492 bonds (distance) P-C4' energy: -115.551 flat angles C4'-P-C4' energy: -135.066 flat angles P-C4'-P energy: -71.580 tors. eta vs tors. theta energy: -140.470 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 75 Temperature: 1.100000 Total energy: -1667.697103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1667.697103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1667.697103 (E_RNA) where: Base-Base interactions energy: -1081.341 where: short stacking energy: -447.589 Base-Backbone interact. energy: -2.070 local terms energy: -584.285274 where: bonds (distance) C4'-P energy: -127.466 bonds (distance) P-C4' energy: -110.122 flat angles C4'-P-C4' energy: -135.592 flat angles P-C4'-P energy: -70.952 tors. eta vs tors. theta energy: -140.154 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 75 Temperature: 1.150000 Total energy: -1188.424997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1188.424997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1188.424997 (E_RNA) where: Base-Base interactions energy: -716.285 where: short stacking energy: -315.048 Base-Backbone interact. energy: 4.970 local terms energy: -477.937181 where: bonds (distance) C4'-P energy: -109.183 bonds (distance) P-C4' energy: -124.014 flat angles C4'-P-C4' energy: -107.821 flat angles P-C4'-P energy: -70.271 tors. eta vs tors. theta energy: -66.648 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.828 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 75 Temperature: 1.200000 Total energy: -1036.878826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1036.878826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1036.878826 (E_RNA) where: Base-Base interactions energy: -597.673 where: short stacking energy: -246.304 Base-Backbone interact. energy: -2.277 local terms energy: -436.928811 where: bonds (distance) C4'-P energy: -102.371 bonds (distance) P-C4' energy: -120.227 flat angles C4'-P-C4' energy: -108.867 flat angles P-C4'-P energy: -66.033 tors. eta vs tors. theta energy: -39.431 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 75 Temperature: 1.250000 Total energy: -897.492213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -897.492213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -897.492213 (E_RNA) where: Base-Base interactions energy: -504.961 where: short stacking energy: -224.280 Base-Backbone interact. energy: 7.492 local terms energy: -400.023217 where: bonds (distance) C4'-P energy: -97.198 bonds (distance) P-C4' energy: -107.551 flat angles C4'-P-C4' energy: -105.788 flat angles P-C4'-P energy: -58.101 tors. eta vs tors. theta energy: -31.385 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: 3 ===================================== Write number: 75 Temperature: 1.300000 Total energy: -547.716924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -547.716924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -547.716924 (E_RNA) where: Base-Base interactions energy: -200.194 where: short stacking energy: -160.885 Base-Backbone interact. energy: 2.137 local terms energy: -349.660562 where: bonds (distance) C4'-P energy: -117.776 bonds (distance) P-C4' energy: -100.074 flat angles C4'-P-C4' energy: -89.090 flat angles P-C4'-P energy: -42.418 tors. eta vs tors. theta energy: -0.301 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 75 Temperature: 1.350000 Total energy: -511.838074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -511.838074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -511.838074 (E_RNA) where: Base-Base interactions energy: -192.738 where: short stacking energy: -153.529 Base-Backbone interact. energy: 0.492 local terms energy: -319.592893 where: bonds (distance) C4'-P energy: -80.076 bonds (distance) P-C4' energy: -99.517 flat angles C4'-P-C4' energy: -80.467 flat angles P-C4'-P energy: -70.154 tors. eta vs tors. theta energy: 10.621 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: 5 ===================================== Write number: 76 Temperature: 0.900000 Total energy: -2083.135003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2083.135003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2083.135003 (E_RNA) where: Base-Base interactions energy: -1375.816 where: short stacking energy: -599.603 Base-Backbone interact. energy: -0.571 local terms energy: -706.747581 where: bonds (distance) C4'-P energy: -120.272 bonds (distance) P-C4' energy: -138.516 flat angles C4'-P-C4' energy: -162.150 flat angles P-C4'-P energy: -94.594 tors. eta vs tors. theta energy: -191.216 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: 8 ===================================== Write number: 76 Temperature: 0.950000 Total energy: -1936.179218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1936.179218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1936.179218 (E_RNA) where: Base-Base interactions energy: -1292.643 where: short stacking energy: -540.221 Base-Backbone interact. energy: 9.263 local terms energy: -652.798578 where: bonds (distance) C4'-P energy: -136.129 bonds (distance) P-C4' energy: -131.960 flat angles C4'-P-C4' energy: -140.040 flat angles P-C4'-P energy: -95.480 tors. eta vs tors. theta energy: -149.189 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 76 Temperature: 1.000000 Total energy: -1820.838862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1820.838862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1820.838862 (E_RNA) where: Base-Base interactions energy: -1223.680 where: short stacking energy: -532.606 Base-Backbone interact. energy: 5.581 local terms energy: -602.740475 where: bonds (distance) C4'-P energy: -118.029 bonds (distance) P-C4' energy: -117.676 flat angles C4'-P-C4' energy: -143.711 flat angles P-C4'-P energy: -87.851 tors. eta vs tors. theta energy: -135.473 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: 10 ===================================== Write number: 76 Temperature: 1.050000 Total energy: -1786.640733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1786.640733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1786.640733 (E_RNA) where: Base-Base interactions energy: -1160.088 where: short stacking energy: -495.303 Base-Backbone interact. energy: -2.891 local terms energy: -623.661437 where: bonds (distance) C4'-P energy: -126.615 bonds (distance) P-C4' energy: -125.125 flat angles C4'-P-C4' energy: -149.447 flat angles P-C4'-P energy: -84.400 tors. eta vs tors. theta energy: -138.074 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 76 Temperature: 1.100000 Total energy: -1631.186717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1631.186717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1631.186717 (E_RNA) where: Base-Base interactions energy: -1081.042 where: short stacking energy: -433.311 Base-Backbone interact. energy: 0.748 local terms energy: -550.892179 where: bonds (distance) C4'-P energy: -111.243 bonds (distance) P-C4' energy: -114.280 flat angles C4'-P-C4' energy: -143.121 flat angles P-C4'-P energy: -76.294 tors. eta vs tors. theta energy: -105.953 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 76 Temperature: 1.150000 Total energy: -1180.439983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1180.439983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1180.439983 (E_RNA) where: Base-Base interactions energy: -713.662 where: short stacking energy: -326.702 Base-Backbone interact. energy: -2.867 local terms energy: -465.492210 where: bonds (distance) C4'-P energy: -97.295 bonds (distance) P-C4' energy: -125.818 flat angles C4'-P-C4' energy: -114.136 flat angles P-C4'-P energy: -61.566 tors. eta vs tors. theta energy: -66.678 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 1.581 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 76 Temperature: 1.200000 Total energy: -1058.689011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1058.689011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1058.689011 (E_RNA) where: Base-Base interactions energy: -589.176 where: short stacking energy: -299.749 Base-Backbone interact. energy: 0.542 local terms energy: -470.054547 where: bonds (distance) C4'-P energy: -112.358 bonds (distance) P-C4' energy: -119.739 flat angles C4'-P-C4' energy: -109.638 flat angles P-C4'-P energy: -83.308 tors. eta vs tors. theta energy: -45.012 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 76 Temperature: 1.250000 Total energy: -882.952443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -882.952443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -882.952443 (E_RNA) where: Base-Base interactions energy: -483.432 where: short stacking energy: -230.491 Base-Backbone interact. energy: 2.851 local terms energy: -402.371060 where: bonds (distance) C4'-P energy: -118.360 bonds (distance) P-C4' energy: -120.598 flat angles C4'-P-C4' energy: -87.435 flat angles P-C4'-P energy: -54.325 tors. eta vs tors. theta energy: -21.654 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 76 Temperature: 1.300000 Total energy: -513.205203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -513.205203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -513.205203 (E_RNA) where: Base-Base interactions energy: -179.725 where: short stacking energy: -135.312 Base-Backbone interact. energy: -0.862 local terms energy: -332.617881 where: bonds (distance) C4'-P energy: -103.005 bonds (distance) P-C4' energy: -110.094 flat angles C4'-P-C4' energy: -108.400 flat angles P-C4'-P energy: -46.491 tors. eta vs tors. theta energy: 35.372 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 76 Temperature: 1.350000 Total energy: -508.432720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -508.432720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -508.432720 (E_RNA) where: Base-Base interactions energy: -162.892 where: short stacking energy: -131.758 Base-Backbone interact. energy: -1.246 local terms energy: -344.294733 where: bonds (distance) C4'-P energy: -96.073 bonds (distance) P-C4' energy: -109.913 flat angles C4'-P-C4' energy: -113.895 flat angles P-C4'-P energy: -53.351 tors. eta vs tors. theta energy: 28.937 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: 1, replica: 5 ===================================== Write number: 77 Temperature: 0.900000 Total energy: -2064.634445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2064.634445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2064.634445 (E_RNA) where: Base-Base interactions energy: -1381.400 where: short stacking energy: -596.047 Base-Backbone interact. energy: -2.038 local terms energy: -681.196907 where: bonds (distance) C4'-P energy: -116.414 bonds (distance) P-C4' energy: -135.625 flat angles C4'-P-C4' energy: -142.608 flat angles P-C4'-P energy: -110.871 tors. eta vs tors. theta energy: -175.679 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 77 Temperature: 0.950000 Total energy: -1917.595143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1917.595143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1917.595143 (E_RNA) where: Base-Base interactions energy: -1295.035 where: short stacking energy: -509.964 Base-Backbone interact. energy: 3.572 local terms energy: -626.132467 where: bonds (distance) C4'-P energy: -133.336 bonds (distance) P-C4' energy: -134.835 flat angles C4'-P-C4' energy: -131.865 flat angles P-C4'-P energy: -88.447 tors. eta vs tors. theta energy: -137.649 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: 3, replica: 6 ===================================== Write number: 77 Temperature: 1.000000 Total energy: -1817.741101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1817.741101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1817.741101 (E_RNA) where: Base-Base interactions energy: -1199.587 where: short stacking energy: -518.868 Base-Backbone interact. energy: 3.267 local terms energy: -621.420467 where: bonds (distance) C4'-P energy: -125.584 bonds (distance) P-C4' energy: -129.580 flat angles C4'-P-C4' energy: -146.061 flat angles P-C4'-P energy: -81.669 tors. eta vs tors. theta energy: -138.527 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 77 Temperature: 1.050000 Total energy: -1770.609851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1770.609851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1770.609851 (E_RNA) where: Base-Base interactions energy: -1153.395 where: short stacking energy: -480.840 Base-Backbone interact. energy: 2.299 local terms energy: -619.514418 where: bonds (distance) C4'-P energy: -128.696 bonds (distance) P-C4' energy: -128.576 flat angles C4'-P-C4' energy: -137.605 flat angles P-C4'-P energy: -82.694 tors. eta vs tors. theta energy: -141.944 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: 4 ===================================== Write number: 77 Temperature: 1.100000 Total energy: -1573.904025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1573.904025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1573.904025 (E_RNA) where: Base-Base interactions energy: -1046.238 where: short stacking energy: -442.033 Base-Backbone interact. energy: 0.909 local terms energy: -528.575123 where: bonds (distance) C4'-P energy: -94.401 bonds (distance) P-C4' energy: -118.256 flat angles C4'-P-C4' energy: -117.158 flat angles P-C4'-P energy: -84.269 tors. eta vs tors. theta energy: -114.492 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: 2 ===================================== Write number: 77 Temperature: 1.150000 Total energy: -1260.967548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1260.967548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1260.967548 (E_RNA) where: Base-Base interactions energy: -760.689 where: short stacking energy: -356.680 Base-Backbone interact. energy: 0.499 local terms energy: -500.777366 where: bonds (distance) C4'-P energy: -109.179 bonds (distance) P-C4' energy: -111.391 flat angles C4'-P-C4' energy: -124.970 flat angles P-C4'-P energy: -74.079 tors. eta vs tors. theta energy: -81.159 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: 7 ===================================== Write number: 77 Temperature: 1.200000 Total energy: -1063.008444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1063.008444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1063.008444 (E_RNA) where: Base-Base interactions energy: -598.703 where: short stacking energy: -296.337 Base-Backbone interact. energy: 4.822 local terms energy: -469.127789 where: bonds (distance) C4'-P energy: -127.495 bonds (distance) P-C4' energy: -105.223 flat angles C4'-P-C4' energy: -120.310 flat angles P-C4'-P energy: -70.715 tors. eta vs tors. theta energy: -45.384 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: 1 ===================================== Write number: 77 Temperature: 1.250000 Total energy: -828.572106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -828.572106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -828.572106 (E_RNA) where: Base-Base interactions energy: -426.176 where: short stacking energy: -217.762 Base-Backbone interact. energy: 2.313 local terms energy: -404.709282 where: bonds (distance) C4'-P energy: -113.708 bonds (distance) P-C4' energy: -121.975 flat angles C4'-P-C4' energy: -104.370 flat angles P-C4'-P energy: -64.137 tors. eta vs tors. theta energy: -0.520 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 77 Temperature: 1.300000 Total energy: -581.277856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -581.277856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -581.277856 (E_RNA) where: Base-Base interactions energy: -225.509 where: short stacking energy: -163.759 Base-Backbone interact. energy: -2.525 local terms energy: -353.266857 where: bonds (distance) C4'-P energy: -106.919 bonds (distance) P-C4' energy: -117.438 flat angles C4'-P-C4' energy: -87.400 flat angles P-C4'-P energy: -61.306 tors. eta vs tors. theta energy: 19.795 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.023 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 77 Temperature: 1.350000 Total energy: -480.972234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -480.972234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -480.972234 (E_RNA) where: Base-Base interactions energy: -132.629 where: short stacking energy: -97.349 Base-Backbone interact. energy: 0.191 local terms energy: -348.533871 where: bonds (distance) C4'-P energy: -126.228 bonds (distance) P-C4' energy: -99.618 flat angles C4'-P-C4' energy: -91.349 flat angles P-C4'-P energy: -55.519 tors. eta vs tors. theta energy: 24.180 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 78 Temperature: 0.900000 Total energy: -2099.913085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2099.913085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2099.913085 (E_RNA) where: Base-Base interactions energy: -1394.883 where: short stacking energy: -636.387 Base-Backbone interact. energy: -3.367 local terms energy: -701.663614 where: bonds (distance) C4'-P energy: -131.834 bonds (distance) P-C4' energy: -137.820 flat angles C4'-P-C4' energy: -147.123 flat angles P-C4'-P energy: -99.882 tors. eta vs tors. theta energy: -185.005 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: 8 ===================================== Write number: 78 Temperature: 0.950000 Total energy: -1936.802443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1936.802443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1936.802443 (E_RNA) where: Base-Base interactions energy: -1262.887 where: short stacking energy: -501.680 Base-Backbone interact. energy: -2.991 local terms energy: -670.924841 where: bonds (distance) C4'-P energy: -129.407 bonds (distance) P-C4' energy: -145.242 flat angles C4'-P-C4' energy: -147.733 flat angles P-C4'-P energy: -87.765 tors. eta vs tors. theta energy: -160.778 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 78 Temperature: 1.000000 Total energy: -1812.814966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1812.814966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1812.814966 (E_RNA) where: Base-Base interactions energy: -1184.189 where: short stacking energy: -532.366 Base-Backbone interact. energy: -2.435 local terms energy: -626.190687 where: bonds (distance) C4'-P energy: -125.806 bonds (distance) P-C4' energy: -134.558 flat angles C4'-P-C4' energy: -133.570 flat angles P-C4'-P energy: -92.867 tors. eta vs tors. theta energy: -139.390 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: 4, replica: 10 ===================================== Write number: 78 Temperature: 1.050000 Total energy: -1730.415577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1730.415577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1730.415577 (E_RNA) where: Base-Base interactions energy: -1121.896 where: short stacking energy: -469.154 Base-Backbone interact. energy: -4.071 local terms energy: -604.448912 where: bonds (distance) C4'-P energy: -116.703 bonds (distance) P-C4' energy: -130.050 flat angles C4'-P-C4' energy: -144.427 flat angles P-C4'-P energy: -75.634 tors. eta vs tors. theta energy: -137.634 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 78 Temperature: 1.100000 Total energy: -1601.214732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1601.214732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1601.214732 (E_RNA) where: Base-Base interactions energy: -1028.107 where: short stacking energy: -461.581 Base-Backbone interact. energy: -1.754 local terms energy: -571.353284 where: bonds (distance) C4'-P energy: -120.900 bonds (distance) P-C4' energy: -111.125 flat angles C4'-P-C4' energy: -144.808 flat angles P-C4'-P energy: -70.594 tors. eta vs tors. theta energy: -123.927 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: 6, replica: 2 ===================================== Write number: 78 Temperature: 1.150000 Total energy: -1250.960428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1250.960428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1250.960428 (E_RNA) where: Base-Base interactions energy: -781.355 where: short stacking energy: -378.384 Base-Backbone interact. energy: 6.638 local terms energy: -476.243617 where: bonds (distance) C4'-P energy: -107.812 bonds (distance) P-C4' energy: -102.504 flat angles C4'-P-C4' energy: -107.510 flat angles P-C4'-P energy: -57.430 tors. eta vs tors. theta energy: -100.987 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 78 Temperature: 1.200000 Total energy: -1089.417732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1089.417732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1089.417732 (E_RNA) where: Base-Base interactions energy: -628.208 where: short stacking energy: -326.871 Base-Backbone interact. energy: 2.876 local terms energy: -464.085700 where: bonds (distance) C4'-P energy: -111.225 bonds (distance) P-C4' energy: -106.230 flat angles C4'-P-C4' energy: -108.481 flat angles P-C4'-P energy: -71.209 tors. eta vs tors. theta energy: -66.941 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 78 Temperature: 1.250000 Total energy: -869.004040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -869.004040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -869.004040 (E_RNA) where: Base-Base interactions energy: -445.460 where: short stacking energy: -245.275 Base-Backbone interact. energy: -1.496 local terms energy: -422.048308 where: bonds (distance) C4'-P energy: -111.299 bonds (distance) P-C4' energy: -119.908 flat angles C4'-P-C4' energy: -109.237 flat angles P-C4'-P energy: -57.776 tors. eta vs tors. theta energy: -23.828 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 78 Temperature: 1.300000 Total energy: -531.175922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -531.175922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -531.175922 (E_RNA) where: Base-Base interactions energy: -189.236 where: short stacking energy: -137.780 Base-Backbone interact. energy: -2.087 local terms energy: -339.852792 where: bonds (distance) C4'-P energy: -91.155 bonds (distance) P-C4' energy: -126.972 flat angles C4'-P-C4' energy: -76.516 flat angles P-C4'-P energy: -58.579 tors. eta vs tors. theta energy: 13.369 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 78 Temperature: 1.350000 Total energy: -497.614957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -497.614957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -497.614957 (E_RNA) where: Base-Base interactions energy: -189.949 where: short stacking energy: -140.275 Base-Backbone interact. energy: 1.395 local terms energy: -309.060520 where: bonds (distance) C4'-P energy: -107.623 bonds (distance) P-C4' energy: -109.119 flat angles C4'-P-C4' energy: -77.312 flat angles P-C4'-P energy: -54.383 tors. eta vs tors. theta energy: 39.376 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 79 Temperature: 0.900000 Total energy: -2087.417031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2087.417031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2087.417031 (E_RNA) where: Base-Base interactions energy: -1398.222 where: short stacking energy: -602.494 Base-Backbone interact. energy: -4.206 local terms energy: -684.989063 where: bonds (distance) C4'-P energy: -123.106 bonds (distance) P-C4' energy: -131.584 flat angles C4'-P-C4' energy: -150.005 flat angles P-C4'-P energy: -98.419 tors. eta vs tors. theta energy: -181.874 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: 8 ===================================== Write number: 79 Temperature: 0.950000 Total energy: -1953.975006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1953.975006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1953.975006 (E_RNA) where: Base-Base interactions energy: -1315.026 where: short stacking energy: -533.655 Base-Backbone interact. energy: 1.884 local terms energy: -640.833066 where: bonds (distance) C4'-P energy: -120.780 bonds (distance) P-C4' energy: -132.913 flat angles C4'-P-C4' energy: -146.510 flat angles P-C4'-P energy: -86.054 tors. eta vs tors. theta energy: -154.576 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 79 Temperature: 1.000000 Total energy: -1803.497760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1803.497760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1803.497760 (E_RNA) where: Base-Base interactions energy: -1177.679 where: short stacking energy: -529.243 Base-Backbone interact. energy: -3.497 local terms energy: -622.322115 where: bonds (distance) C4'-P energy: -108.078 bonds (distance) P-C4' energy: -131.686 flat angles C4'-P-C4' energy: -134.189 flat angles P-C4'-P energy: -96.156 tors. eta vs tors. theta energy: -152.212 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 79 Temperature: 1.050000 Total energy: -1752.000543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1752.000543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1752.000543 (E_RNA) where: Base-Base interactions energy: -1134.195 where: short stacking energy: -482.701 Base-Backbone interact. energy: -1.117 local terms energy: -616.688484 where: bonds (distance) C4'-P energy: -125.428 bonds (distance) P-C4' energy: -120.465 flat angles C4'-P-C4' energy: -133.923 flat angles P-C4'-P energy: -91.547 tors. eta vs tors. theta energy: -145.325 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: 4 ===================================== Write number: 79 Temperature: 1.100000 Total energy: -1578.017651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1578.017651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1578.017651 (E_RNA) where: Base-Base interactions energy: -998.421 where: short stacking energy: -470.072 Base-Backbone interact. energy: 0.620 local terms energy: -580.216200 where: bonds (distance) C4'-P energy: -130.102 bonds (distance) P-C4' energy: -125.838 flat angles C4'-P-C4' energy: -104.169 flat angles P-C4'-P energy: -92.989 tors. eta vs tors. theta energy: -127.118 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 79 Temperature: 1.150000 Total energy: -1180.913387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1180.913387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1180.913387 (E_RNA) where: Base-Base interactions energy: -685.813 where: short stacking energy: -353.975 Base-Backbone interact. energy: -0.189 local terms energy: -494.912199 where: bonds (distance) C4'-P energy: -123.517 bonds (distance) P-C4' energy: -116.445 flat angles C4'-P-C4' energy: -119.800 flat angles P-C4'-P energy: -69.349 tors. eta vs tors. theta energy: -65.802 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 79 Temperature: 1.200000 Total energy: -1081.502089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1081.502089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1081.502089 (E_RNA) where: Base-Base interactions energy: -627.237 where: short stacking energy: -306.427 Base-Backbone interact. energy: 1.749 local terms energy: -456.014225 where: bonds (distance) C4'-P energy: -104.938 bonds (distance) P-C4' energy: -125.962 flat angles C4'-P-C4' energy: -117.051 flat angles P-C4'-P energy: -65.575 tors. eta vs tors. theta energy: -42.489 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: 1 ===================================== Write number: 79 Temperature: 1.250000 Total energy: -844.545389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -844.545389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -844.545389 (E_RNA) where: Base-Base interactions energy: -439.048 where: short stacking energy: -241.123 Base-Backbone interact. energy: -1.030 local terms energy: -404.467668 where: bonds (distance) C4'-P energy: -102.267 bonds (distance) P-C4' energy: -106.253 flat angles C4'-P-C4' energy: -109.439 flat angles P-C4'-P energy: -66.668 tors. eta vs tors. theta energy: -19.841 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: 9 ===================================== Write number: 79 Temperature: 1.300000 Total energy: -519.351769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -519.351769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -519.351769 (E_RNA) where: Base-Base interactions energy: -177.378 where: short stacking energy: -128.134 Base-Backbone interact. energy: -0.080 local terms energy: -341.894373 where: bonds (distance) C4'-P energy: -106.315 bonds (distance) P-C4' energy: -104.996 flat angles C4'-P-C4' energy: -96.223 flat angles P-C4'-P energy: -52.738 tors. eta vs tors. theta energy: 18.379 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 79 Temperature: 1.350000 Total energy: -494.227986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -494.227986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -494.227986 (E_RNA) where: Base-Base interactions energy: -139.726 where: short stacking energy: -121.485 Base-Backbone interact. energy: -1.755 local terms energy: -352.746716 where: bonds (distance) C4'-P energy: -129.461 bonds (distance) P-C4' energy: -133.383 flat angles C4'-P-C4' energy: -56.742 flat angles P-C4'-P energy: -52.109 tors. eta vs tors. theta energy: 18.949 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 80 Temperature: 0.900000 Total energy: -2087.436721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2087.436721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2087.436721 (E_RNA) where: Base-Base interactions energy: -1357.300 where: short stacking energy: -593.345 Base-Backbone interact. energy: -6.170 local terms energy: -723.966953 where: bonds (distance) C4'-P energy: -130.411 bonds (distance) P-C4' energy: -149.193 flat angles C4'-P-C4' energy: -147.432 flat angles P-C4'-P energy: -116.906 tors. eta vs tors. theta energy: -180.025 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: 8 ===================================== Write number: 80 Temperature: 0.950000 Total energy: -1969.672013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1969.672013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1969.672013 (E_RNA) where: Base-Base interactions energy: -1309.280 where: short stacking energy: -538.350 Base-Backbone interact. energy: -2.616 local terms energy: -657.775272 where: bonds (distance) C4'-P energy: -137.297 bonds (distance) P-C4' energy: -126.240 flat angles C4'-P-C4' energy: -137.952 flat angles P-C4'-P energy: -86.978 tors. eta vs tors. theta energy: -169.309 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 80 Temperature: 1.000000 Total energy: -1811.212405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1811.212405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1811.212405 (E_RNA) where: Base-Base interactions energy: -1197.610 where: short stacking energy: -529.217 Base-Backbone interact. energy: -2.068 local terms energy: -611.534661 where: bonds (distance) C4'-P energy: -120.148 bonds (distance) P-C4' energy: -135.298 flat angles C4'-P-C4' energy: -125.221 flat angles P-C4'-P energy: -92.849 tors. eta vs tors. theta energy: -138.018 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: 4, replica: 10 ===================================== Write number: 80 Temperature: 1.050000 Total energy: -1806.227511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1806.227511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1806.227511 (E_RNA) where: Base-Base interactions energy: -1166.439 where: short stacking energy: -514.390 Base-Backbone interact. energy: -1.795 local terms energy: -637.993934 where: bonds (distance) C4'-P energy: -125.416 bonds (distance) P-C4' energy: -137.932 flat angles C4'-P-C4' energy: -141.530 flat angles P-C4'-P energy: -83.802 tors. eta vs tors. theta energy: -149.314 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 80 Temperature: 1.100000 Total energy: -1561.897643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1561.897643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1561.897643 (E_RNA) where: Base-Base interactions energy: -967.110 where: short stacking energy: -440.561 Base-Backbone interact. energy: -1.824 local terms energy: -592.963952 where: bonds (distance) C4'-P energy: -129.340 bonds (distance) P-C4' energy: -122.481 flat angles C4'-P-C4' energy: -134.336 flat angles P-C4'-P energy: -82.056 tors. eta vs tors. theta energy: -124.752 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 80 Temperature: 1.150000 Total energy: -1185.063870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1185.063870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1185.063870 (E_RNA) where: Base-Base interactions energy: -693.888 where: short stacking energy: -342.251 Base-Backbone interact. energy: 1.924 local terms energy: -493.099717 where: bonds (distance) C4'-P energy: -108.643 bonds (distance) P-C4' energy: -120.020 flat angles C4'-P-C4' energy: -116.671 flat angles P-C4'-P energy: -70.578 tors. eta vs tors. theta energy: -77.189 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: 7, replica: 7 ===================================== Write number: 80 Temperature: 1.200000 Total energy: -1071.807250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1071.807250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1071.807250 (E_RNA) where: Base-Base interactions energy: -605.898 where: short stacking energy: -295.408 Base-Backbone interact. energy: 0.673 local terms energy: -466.581780 where: bonds (distance) C4'-P energy: -112.305 bonds (distance) P-C4' energy: -124.812 flat angles C4'-P-C4' energy: -115.069 flat angles P-C4'-P energy: -72.644 tors. eta vs tors. theta energy: -41.752 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 80 Temperature: 1.250000 Total energy: -832.023031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -832.023031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -832.023031 (E_RNA) where: Base-Base interactions energy: -425.496 where: short stacking energy: -222.885 Base-Backbone interact. energy: -1.053 local terms energy: -405.474226 where: bonds (distance) C4'-P energy: -108.203 bonds (distance) P-C4' energy: -114.607 flat angles C4'-P-C4' energy: -102.534 flat angles P-C4'-P energy: -75.863 tors. eta vs tors. theta energy: -4.268 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: 9 ===================================== Write number: 80 Temperature: 1.300000 Total energy: -552.407766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -552.407766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -552.407766 (E_RNA) where: Base-Base interactions energy: -206.956 where: short stacking energy: -138.172 Base-Backbone interact. energy: 2.905 local terms energy: -348.356840 where: bonds (distance) C4'-P energy: -106.993 bonds (distance) P-C4' energy: -102.757 flat angles C4'-P-C4' energy: -96.985 flat angles P-C4'-P energy: -54.809 tors. eta vs tors. theta energy: 13.187 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 80 Temperature: 1.350000 Total energy: -507.154174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -507.154174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -507.154174 (E_RNA) where: Base-Base interactions energy: -192.990 where: short stacking energy: -122.740 Base-Backbone interact. energy: 2.257 local terms energy: -316.421057 where: bonds (distance) C4'-P energy: -114.331 bonds (distance) P-C4' energy: -115.309 flat angles C4'-P-C4' energy: -91.506 flat angles P-C4'-P energy: -39.918 tors. eta vs tors. theta energy: 44.642 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 81 Temperature: 0.900000 Total energy: -2095.075985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2095.075985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2095.075985 (E_RNA) where: Base-Base interactions energy: -1397.389 where: short stacking energy: -619.040 Base-Backbone interact. energy: -5.070 local terms energy: -692.616687 where: bonds (distance) C4'-P energy: -134.248 bonds (distance) P-C4' energy: -130.744 flat angles C4'-P-C4' energy: -140.663 flat angles P-C4'-P energy: -103.197 tors. eta vs tors. theta energy: -183.764 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: 8 ===================================== Write number: 81 Temperature: 0.950000 Total energy: -1955.967392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1955.967392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1955.967392 (E_RNA) where: Base-Base interactions energy: -1302.807 where: short stacking energy: -535.209 Base-Backbone interact. energy: 3.190 local terms energy: -656.350822 where: bonds (distance) C4'-P energy: -135.782 bonds (distance) P-C4' energy: -128.745 flat angles C4'-P-C4' energy: -140.267 flat angles P-C4'-P energy: -99.941 tors. eta vs tors. theta energy: -151.616 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 81 Temperature: 1.000000 Total energy: -1821.132568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1821.132568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1821.132568 (E_RNA) where: Base-Base interactions energy: -1196.382 where: short stacking energy: -550.514 Base-Backbone interact. energy: 2.064 local terms energy: -626.814672 where: bonds (distance) C4'-P energy: -108.596 bonds (distance) P-C4' energy: -123.231 flat angles C4'-P-C4' energy: -145.096 flat angles P-C4'-P energy: -93.321 tors. eta vs tors. theta energy: -156.570 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 81 Temperature: 1.050000 Total energy: -1777.809973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1777.809973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1777.809973 (E_RNA) where: Base-Base interactions energy: -1161.465 where: short stacking energy: -498.592 Base-Backbone interact. energy: 0.240 local terms energy: -616.584333 where: bonds (distance) C4'-P energy: -109.285 bonds (distance) P-C4' energy: -142.390 flat angles C4'-P-C4' energy: -143.938 flat angles P-C4'-P energy: -77.152 tors. eta vs tors. theta energy: -143.820 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: 4 ===================================== Write number: 81 Temperature: 1.100000 Total energy: -1606.670628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1606.670628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1606.670628 (E_RNA) where: Base-Base interactions energy: -996.194 where: short stacking energy: -422.418 Base-Backbone interact. energy: -1.205 local terms energy: -609.271213 where: bonds (distance) C4'-P energy: -116.718 bonds (distance) P-C4' energy: -134.553 flat angles C4'-P-C4' energy: -135.748 flat angles P-C4'-P energy: -98.651 tors. eta vs tors. theta energy: -123.601 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 81 Temperature: 1.150000 Total energy: -1221.483564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1221.483564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1221.483564 (E_RNA) where: Base-Base interactions energy: -732.123 where: short stacking energy: -354.406 Base-Backbone interact. energy: 0.606 local terms energy: -489.966751 where: bonds (distance) C4'-P energy: -113.958 bonds (distance) P-C4' energy: -120.295 flat angles C4'-P-C4' energy: -120.576 flat angles P-C4'-P energy: -64.716 tors. eta vs tors. theta energy: -70.422 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 81 Temperature: 1.200000 Total energy: -1094.417445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1094.417445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1094.417445 (E_RNA) where: Base-Base interactions energy: -633.182 where: short stacking energy: -307.163 Base-Backbone interact. energy: 2.056 local terms energy: -463.291444 where: bonds (distance) C4'-P energy: -110.359 bonds (distance) P-C4' energy: -116.461 flat angles C4'-P-C4' energy: -91.341 flat angles P-C4'-P energy: -78.510 tors. eta vs tors. theta energy: -66.620 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: 1 ===================================== Write number: 81 Temperature: 1.250000 Total energy: -815.071536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -815.071536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -815.071536 (E_RNA) where: Base-Base interactions energy: -428.091 where: short stacking energy: -217.013 Base-Backbone interact. energy: 0.546 local terms energy: -387.526100 where: bonds (distance) C4'-P energy: -88.823 bonds (distance) P-C4' energy: -115.565 flat angles C4'-P-C4' energy: -99.420 flat angles P-C4'-P energy: -75.739 tors. eta vs tors. theta energy: -7.979 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 81 Temperature: 1.300000 Total energy: -535.564467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -535.564467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -535.564467 (E_RNA) where: Base-Base interactions energy: -208.398 where: short stacking energy: -154.386 Base-Backbone interact. energy: 4.157 local terms energy: -331.324096 where: bonds (distance) C4'-P energy: -111.426 bonds (distance) P-C4' energy: -100.629 flat angles C4'-P-C4' energy: -103.362 flat angles P-C4'-P energy: -40.901 tors. eta vs tors. theta energy: 24.994 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 81 Temperature: 1.350000 Total energy: -490.816653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -490.816653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -490.816653 (E_RNA) where: Base-Base interactions energy: -198.638 where: short stacking energy: -112.401 Base-Backbone interact. energy: -2.651 local terms energy: -289.528286 where: bonds (distance) C4'-P energy: -94.806 bonds (distance) P-C4' energy: -116.897 flat angles C4'-P-C4' energy: -79.250 flat angles P-C4'-P energy: -37.531 tors. eta vs tors. theta energy: 38.956 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 82 Temperature: 0.900000 Total energy: -2110.437515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2110.437515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2110.437515 (E_RNA) where: Base-Base interactions energy: -1381.490 where: short stacking energy: -577.089 Base-Backbone interact. energy: -2.689 local terms energy: -726.258013 where: bonds (distance) C4'-P energy: -143.679 bonds (distance) P-C4' energy: -149.002 flat angles C4'-P-C4' energy: -154.127 flat angles P-C4'-P energy: -104.233 tors. eta vs tors. theta energy: -175.218 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 82 Temperature: 0.950000 Total energy: -1982.546659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1982.546659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1982.546659 (E_RNA) where: Base-Base interactions energy: -1324.160 where: short stacking energy: -533.140 Base-Backbone interact. energy: 0.132 local terms energy: -658.518279 where: bonds (distance) C4'-P energy: -115.411 bonds (distance) P-C4' energy: -140.642 flat angles C4'-P-C4' energy: -142.651 flat angles P-C4'-P energy: -90.576 tors. eta vs tors. theta energy: -169.238 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 82 Temperature: 1.000000 Total energy: -1826.856139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1826.856139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1826.856139 (E_RNA) where: Base-Base interactions energy: -1227.300 where: short stacking energy: -542.073 Base-Backbone interact. energy: 0.088 local terms energy: -599.643944 where: bonds (distance) C4'-P energy: -122.676 bonds (distance) P-C4' energy: -114.107 flat angles C4'-P-C4' energy: -133.043 flat angles P-C4'-P energy: -75.843 tors. eta vs tors. theta energy: -153.976 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 82 Temperature: 1.050000 Total energy: -1790.376262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1790.376262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1790.376262 (E_RNA) where: Base-Base interactions energy: -1182.412 where: short stacking energy: -504.390 Base-Backbone interact. energy: 1.013 local terms energy: -608.977978 where: bonds (distance) C4'-P energy: -125.645 bonds (distance) P-C4' energy: -116.357 flat angles C4'-P-C4' energy: -147.476 flat angles P-C4'-P energy: -77.213 tors. eta vs tors. theta energy: -142.287 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: 4 ===================================== Write number: 82 Temperature: 1.100000 Total energy: -1673.397765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1673.397765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1673.397765 (E_RNA) where: Base-Base interactions energy: -1119.933 where: short stacking energy: -452.686 Base-Backbone interact. energy: 0.877 local terms energy: -554.341475 where: bonds (distance) C4'-P energy: -99.655 bonds (distance) P-C4' energy: -122.725 flat angles C4'-P-C4' energy: -111.561 flat angles P-C4'-P energy: -81.637 tors. eta vs tors. theta energy: -138.763 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 82 Temperature: 1.150000 Total energy: -1248.807745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1248.807745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1248.807745 (E_RNA) where: Base-Base interactions energy: -751.791 where: short stacking energy: -343.089 Base-Backbone interact. energy: 1.207 local terms energy: -498.223456 where: bonds (distance) C4'-P energy: -116.207 bonds (distance) P-C4' energy: -120.096 flat angles C4'-P-C4' energy: -120.059 flat angles P-C4'-P energy: -83.807 tors. eta vs tors. theta energy: -58.055 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: 7 ===================================== Write number: 82 Temperature: 1.200000 Total energy: -1127.776590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1127.776590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1127.776590 (E_RNA) where: Base-Base interactions energy: -668.349 where: short stacking energy: -291.858 Base-Backbone interact. energy: 6.657 local terms energy: -466.084598 where: bonds (distance) C4'-P energy: -96.824 bonds (distance) P-C4' energy: -129.210 flat angles C4'-P-C4' energy: -111.659 flat angles P-C4'-P energy: -67.090 tors. eta vs tors. theta energy: -61.301 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: 1 ===================================== Write number: 82 Temperature: 1.250000 Total energy: -833.206159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -833.206159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -833.206159 (E_RNA) where: Base-Base interactions energy: -416.758 where: short stacking energy: -239.977 Base-Backbone interact. energy: -1.349 local terms energy: -415.098685 where: bonds (distance) C4'-P energy: -116.725 bonds (distance) P-C4' energy: -110.652 flat angles C4'-P-C4' energy: -119.299 flat angles P-C4'-P energy: -41.143 tors. eta vs tors. theta energy: -27.279 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 82 Temperature: 1.300000 Total energy: -541.124003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -541.124003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -541.124003 (E_RNA) where: Base-Base interactions energy: -184.875 where: short stacking energy: -140.518 Base-Backbone interact. energy: -1.801 local terms energy: -354.447616 where: bonds (distance) C4'-P energy: -101.865 bonds (distance) P-C4' energy: -102.903 flat angles C4'-P-C4' energy: -113.971 flat angles P-C4'-P energy: -48.977 tors. eta vs tors. theta energy: 13.269 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: 3 ===================================== Write number: 82 Temperature: 1.350000 Total energy: -534.409831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -534.409831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -534.409831 (E_RNA) where: Base-Base interactions energy: -197.767 where: short stacking energy: -133.636 Base-Backbone interact. energy: 2.733 local terms energy: -339.376306 where: bonds (distance) C4'-P energy: -126.308 bonds (distance) P-C4' energy: -116.883 flat angles C4'-P-C4' energy: -78.893 flat angles P-C4'-P energy: -37.073 tors. eta vs tors. theta energy: 19.781 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: 5 ===================================== Write number: 83 Temperature: 0.900000 Total energy: -2081.087070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2081.087070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2081.087070 (E_RNA) where: Base-Base interactions energy: -1369.998 where: short stacking energy: -582.174 Base-Backbone interact. energy: -4.414 local terms energy: -706.675172 where: bonds (distance) C4'-P energy: -136.005 bonds (distance) P-C4' energy: -141.664 flat angles C4'-P-C4' energy: -149.023 flat angles P-C4'-P energy: -106.079 tors. eta vs tors. theta energy: -173.905 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: 8 ===================================== Write number: 83 Temperature: 0.950000 Total energy: -1976.003886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1976.003886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1976.003886 (E_RNA) where: Base-Base interactions energy: -1318.320 where: short stacking energy: -560.754 Base-Backbone interact. energy: -1.370 local terms energy: -656.314311 where: bonds (distance) C4'-P energy: -129.751 bonds (distance) P-C4' energy: -120.074 flat angles C4'-P-C4' energy: -150.676 flat angles P-C4'-P energy: -83.534 tors. eta vs tors. theta energy: -172.280 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: 6 ===================================== Write number: 83 Temperature: 1.000000 Total energy: -1827.497861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1827.497861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1827.497861 (E_RNA) where: Base-Base interactions energy: -1171.411 where: short stacking energy: -507.504 Base-Backbone interact. energy: -2.755 local terms energy: -653.331717 where: bonds (distance) C4'-P energy: -128.174 bonds (distance) P-C4' energy: -132.492 flat angles C4'-P-C4' energy: -147.068 flat angles P-C4'-P energy: -77.717 tors. eta vs tors. theta energy: -167.882 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 83 Temperature: 1.050000 Total energy: -1829.020667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1829.020667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1829.020667 (E_RNA) where: Base-Base interactions energy: -1214.352 where: short stacking energy: -524.908 Base-Backbone interact. energy: -0.430 local terms energy: -614.238374 where: bonds (distance) C4'-P energy: -104.273 bonds (distance) P-C4' energy: -137.160 flat angles C4'-P-C4' energy: -142.152 flat angles P-C4'-P energy: -85.071 tors. eta vs tors. theta energy: -145.581 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: 4 ===================================== Write number: 83 Temperature: 1.100000 Total energy: -1698.044994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1698.044994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1698.044994 (E_RNA) where: Base-Base interactions energy: -1132.770 where: short stacking energy: -474.040 Base-Backbone interact. energy: 2.805 local terms energy: -568.079952 where: bonds (distance) C4'-P energy: -105.257 bonds (distance) P-C4' energy: -125.795 flat angles C4'-P-C4' energy: -116.177 flat angles P-C4'-P energy: -90.311 tors. eta vs tors. theta energy: -130.540 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: 2 ===================================== Write number: 83 Temperature: 1.150000 Total energy: -1342.610044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1342.610044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1342.610044 (E_RNA) where: Base-Base interactions energy: -836.110 where: short stacking energy: -374.422 Base-Backbone interact. energy: 0.118 local terms energy: -508.047071 where: bonds (distance) C4'-P energy: -109.339 bonds (distance) P-C4' energy: -107.111 flat angles C4'-P-C4' energy: -125.668 flat angles P-C4'-P energy: -77.728 tors. eta vs tors. theta energy: -88.201 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 1.429 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 83 Temperature: 1.200000 Total energy: -1169.905008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1169.905008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1169.905008 (E_RNA) where: Base-Base interactions energy: -698.884 where: short stacking energy: -334.350 Base-Backbone interact. energy: 1.120 local terms energy: -472.141497 where: bonds (distance) C4'-P energy: -121.697 bonds (distance) P-C4' energy: -109.685 flat angles C4'-P-C4' energy: -105.388 flat angles P-C4'-P energy: -65.464 tors. eta vs tors. theta energy: -69.908 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 83 Temperature: 1.250000 Total energy: -871.822884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -871.822884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -871.822884 (E_RNA) where: Base-Base interactions energy: -468.183 where: short stacking energy: -251.626 Base-Backbone interact. energy: -1.773 local terms energy: -401.866839 where: bonds (distance) C4'-P energy: -101.377 bonds (distance) P-C4' energy: -128.725 flat angles C4'-P-C4' energy: -94.883 flat angles P-C4'-P energy: -59.074 tors. eta vs tors. theta energy: -17.809 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 83 Temperature: 1.300000 Total energy: -562.445583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -562.445583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -562.445583 (E_RNA) where: Base-Base interactions energy: -193.599 where: short stacking energy: -165.776 Base-Backbone interact. energy: -2.438 local terms energy: -366.409221 where: bonds (distance) C4'-P energy: -124.224 bonds (distance) P-C4' energy: -113.738 flat angles C4'-P-C4' energy: -98.226 flat angles P-C4'-P energy: -36.675 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: 10, replica: 3 ===================================== Write number: 83 Temperature: 1.350000 Total energy: -532.900038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -532.900038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -532.900038 (E_RNA) where: Base-Base interactions energy: -174.084 where: short stacking energy: -113.886 Base-Backbone interact. energy: 3.175 local terms energy: -361.991281 where: bonds (distance) C4'-P energy: -115.954 bonds (distance) P-C4' energy: -119.808 flat angles C4'-P-C4' energy: -92.091 flat angles P-C4'-P energy: -61.513 tors. eta vs tors. theta energy: 27.374 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 84 Temperature: 0.900000 Total energy: -2102.752905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2102.752905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2102.752905 (E_RNA) where: Base-Base interactions energy: -1407.397 where: short stacking energy: -598.094 Base-Backbone interact. energy: -2.076 local terms energy: -693.279913 where: bonds (distance) C4'-P energy: -125.659 bonds (distance) P-C4' energy: -129.095 flat angles C4'-P-C4' energy: -159.598 flat angles P-C4'-P energy: -98.424 tors. eta vs tors. theta energy: -180.504 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 84 Temperature: 0.950000 Total energy: -1942.945284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1942.945284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1942.945284 (E_RNA) where: Base-Base interactions energy: -1314.722 where: short stacking energy: -515.964 Base-Backbone interact. energy: -4.522 local terms energy: -623.700662 where: bonds (distance) C4'-P energy: -115.802 bonds (distance) P-C4' energy: -133.961 flat angles C4'-P-C4' energy: -141.391 flat angles P-C4'-P energy: -86.834 tors. eta vs tors. theta energy: -145.712 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 84 Temperature: 1.000000 Total energy: -1853.587680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1853.587680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1853.587680 (E_RNA) where: Base-Base interactions energy: -1244.618 where: short stacking energy: -535.949 Base-Backbone interact. energy: -0.918 local terms energy: -608.051739 where: bonds (distance) C4'-P energy: -132.572 bonds (distance) P-C4' energy: -125.016 flat angles C4'-P-C4' energy: -128.900 flat angles P-C4'-P energy: -69.107 tors. eta vs tors. theta energy: -152.456 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: 6 ===================================== Write number: 84 Temperature: 1.050000 Total energy: -1749.502498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1749.502498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1749.502498 (E_RNA) where: Base-Base interactions energy: -1122.287 where: short stacking energy: -520.860 Base-Backbone interact. energy: -1.991 local terms energy: -625.224743 where: bonds (distance) C4'-P energy: -106.270 bonds (distance) P-C4' energy: -130.119 flat angles C4'-P-C4' energy: -132.300 flat angles P-C4'-P energy: -100.508 tors. eta vs tors. theta energy: -156.028 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 84 Temperature: 1.100000 Total energy: -1711.954751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1711.954751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1711.954751 (E_RNA) where: Base-Base interactions energy: -1130.130 where: short stacking energy: -473.090 Base-Backbone interact. energy: -1.000 local terms energy: -580.824688 where: bonds (distance) C4'-P energy: -115.412 bonds (distance) P-C4' energy: -117.536 flat angles C4'-P-C4' energy: -125.846 flat angles P-C4'-P energy: -84.111 tors. eta vs tors. theta energy: -137.919 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 84 Temperature: 1.150000 Total energy: -1472.743235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1472.743235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1472.743235 (E_RNA) where: Base-Base interactions energy: -937.830 where: short stacking energy: -419.891 Base-Backbone interact. energy: -2.692 local terms energy: -532.220915 where: bonds (distance) C4'-P energy: -101.346 bonds (distance) P-C4' energy: -120.127 flat angles C4'-P-C4' energy: -119.253 flat angles P-C4'-P energy: -79.682 tors. eta vs tors. theta energy: -111.813 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: 84 Temperature: 1.200000 Total energy: -1216.875940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1216.875940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1216.875940 (E_RNA) where: Base-Base interactions energy: -708.838 where: short stacking energy: -316.985 Base-Backbone interact. energy: -5.007 local terms energy: -503.031223 where: bonds (distance) C4'-P energy: -108.960 bonds (distance) P-C4' energy: -119.194 flat angles C4'-P-C4' energy: -132.103 flat angles P-C4'-P energy: -69.172 tors. eta vs tors. theta energy: -73.602 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 84 Temperature: 1.250000 Total energy: -870.866511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -870.866511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -870.866511 (E_RNA) where: Base-Base interactions energy: -473.294 where: short stacking energy: -255.828 Base-Backbone interact. energy: -0.946 local terms energy: -397.206052 where: bonds (distance) C4'-P energy: -100.810 bonds (distance) P-C4' energy: -97.578 flat angles C4'-P-C4' energy: -110.217 flat angles P-C4'-P energy: -63.184 tors. eta vs tors. theta energy: -25.417 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.579 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 84 Temperature: 1.300000 Total energy: -574.305967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -574.305967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -574.305967 (E_RNA) where: Base-Base interactions energy: -195.414 where: short stacking energy: -162.828 Base-Backbone interact. energy: 5.327 local terms energy: -384.218888 where: bonds (distance) C4'-P energy: -106.539 bonds (distance) P-C4' energy: -131.930 flat angles C4'-P-C4' energy: -85.292 flat angles P-C4'-P energy: -64.179 tors. eta vs tors. theta energy: 3.721 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 84 Temperature: 1.350000 Total energy: -503.957732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -503.957732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -503.957732 (E_RNA) where: Base-Base interactions energy: -164.170 where: short stacking energy: -134.322 Base-Backbone interact. energy: -0.794 local terms energy: -338.993967 where: bonds (distance) C4'-P energy: -110.506 bonds (distance) P-C4' energy: -120.204 flat angles C4'-P-C4' energy: -98.180 flat angles P-C4'-P energy: -51.249 tors. eta vs tors. theta energy: 41.146 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 85 Temperature: 0.900000 Total energy: -2100.750981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2100.750981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2100.750981 (E_RNA) where: Base-Base interactions energy: -1393.831 where: short stacking energy: -583.010 Base-Backbone interact. energy: -3.243 local terms energy: -703.676871 where: bonds (distance) C4'-P energy: -145.417 bonds (distance) P-C4' energy: -139.125 flat angles C4'-P-C4' energy: -153.852 flat angles P-C4'-P energy: -88.698 tors. eta vs tors. theta energy: -176.585 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 85 Temperature: 0.950000 Total energy: -1972.024983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1972.024983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1972.024983 (E_RNA) where: Base-Base interactions energy: -1325.802 where: short stacking energy: -587.067 Base-Backbone interact. energy: -4.153 local terms energy: -642.070547 where: bonds (distance) C4'-P energy: -119.573 bonds (distance) P-C4' energy: -130.646 flat angles C4'-P-C4' energy: -142.471 flat angles P-C4'-P energy: -81.260 tors. eta vs tors. theta energy: -168.121 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: 3, replica: 8 ===================================== Write number: 85 Temperature: 1.000000 Total energy: -1851.859706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1851.859706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1851.859706 (E_RNA) where: Base-Base interactions energy: -1222.311 where: short stacking energy: -519.512 Base-Backbone interact. energy: 1.154 local terms energy: -630.702943 where: bonds (distance) C4'-P energy: -121.635 bonds (distance) P-C4' energy: -125.892 flat angles C4'-P-C4' energy: -141.263 flat angles P-C4'-P energy: -90.506 tors. eta vs tors. theta energy: -151.407 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 85 Temperature: 1.050000 Total energy: -1811.939411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1811.939411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1811.939411 (E_RNA) where: Base-Base interactions energy: -1191.101 where: short stacking energy: -543.430 Base-Backbone interact. energy: -3.452 local terms energy: -617.386931 where: bonds (distance) C4'-P energy: -117.196 bonds (distance) P-C4' energy: -120.494 flat angles C4'-P-C4' energy: -146.494 flat angles P-C4'-P energy: -85.859 tors. eta vs tors. theta energy: -147.344 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 85 Temperature: 1.100000 Total energy: -1667.263944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1667.263944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1667.263944 (E_RNA) where: Base-Base interactions energy: -1071.047 where: short stacking energy: -467.961 Base-Backbone interact. energy: -2.077 local terms energy: -594.140151 where: bonds (distance) C4'-P energy: -130.163 bonds (distance) P-C4' energy: -125.192 flat angles C4'-P-C4' energy: -121.457 flat angles P-C4'-P energy: -77.836 tors. eta vs tors. theta energy: -139.492 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: 2 ===================================== Write number: 85 Temperature: 1.150000 Total energy: -1420.793504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1420.793504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1420.793504 (E_RNA) where: Base-Base interactions energy: -895.952 where: short stacking energy: -359.005 Base-Backbone interact. energy: 0.856 local terms energy: -525.697225 where: bonds (distance) C4'-P energy: -102.418 bonds (distance) P-C4' energy: -131.472 flat angles C4'-P-C4' energy: -115.126 flat angles P-C4'-P energy: -84.280 tors. eta vs tors. theta energy: -92.402 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 85 Temperature: 1.200000 Total energy: -1160.257157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1160.257157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1160.257157 (E_RNA) where: Base-Base interactions energy: -736.874 where: short stacking energy: -314.450 Base-Backbone interact. energy: -2.352 local terms energy: -421.031154 where: bonds (distance) C4'-P energy: -89.292 bonds (distance) P-C4' energy: -124.744 flat angles C4'-P-C4' energy: -92.376 flat angles P-C4'-P energy: -54.386 tors. eta vs tors. theta energy: -60.233 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 85 Temperature: 1.250000 Total energy: -834.159990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -834.159990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -834.159990 (E_RNA) where: Base-Base interactions energy: -421.436 where: short stacking energy: -215.331 Base-Backbone interact. energy: 8.984 local terms energy: -421.707920 where: bonds (distance) C4'-P energy: -124.129 bonds (distance) P-C4' energy: -113.065 flat angles C4'-P-C4' energy: -103.769 flat angles P-C4'-P energy: -80.007 tors. eta vs tors. theta energy: -0.738 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 85 Temperature: 1.300000 Total energy: -541.487470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -541.487470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -541.487470 (E_RNA) where: Base-Base interactions energy: -160.935 where: short stacking energy: -128.816 Base-Backbone interact. energy: -0.559 local terms energy: -379.993416 where: bonds (distance) C4'-P energy: -109.913 bonds (distance) P-C4' energy: -114.331 flat angles C4'-P-C4' energy: -117.970 flat angles P-C4'-P energy: -56.753 tors. eta vs tors. theta energy: 18.974 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 85 Temperature: 1.350000 Total energy: -486.205478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -486.205478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -486.205478 (E_RNA) where: Base-Base interactions energy: -178.118 where: short stacking energy: -122.493 Base-Backbone interact. energy: -0.154 local terms energy: -307.933749 where: bonds (distance) C4'-P energy: -103.043 bonds (distance) P-C4' energy: -103.385 flat angles C4'-P-C4' energy: -76.390 flat angles P-C4'-P energy: -45.197 tors. eta vs tors. theta energy: 20.081 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 86 Temperature: 0.900000 Total energy: -2099.234202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2099.234202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2099.234202 (E_RNA) where: Base-Base interactions energy: -1400.348 where: short stacking energy: -596.335 Base-Backbone interact. energy: 0.862 local terms energy: -699.748163 where: bonds (distance) C4'-P energy: -140.879 bonds (distance) P-C4' energy: -133.018 flat angles C4'-P-C4' energy: -154.359 flat angles P-C4'-P energy: -96.819 tors. eta vs tors. theta energy: -174.673 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 86 Temperature: 0.950000 Total energy: -1956.239310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1956.239310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1956.239310 (E_RNA) where: Base-Base interactions energy: -1280.550 where: short stacking energy: -588.467 Base-Backbone interact. energy: 1.378 local terms energy: -677.067057 where: bonds (distance) C4'-P energy: -133.743 bonds (distance) P-C4' energy: -128.286 flat angles C4'-P-C4' energy: -163.988 flat angles P-C4'-P energy: -75.563 tors. eta vs tors. theta energy: -175.487 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: 3, replica: 8 ===================================== Write number: 86 Temperature: 1.000000 Total energy: -1839.019778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1839.019778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1839.019778 (E_RNA) where: Base-Base interactions energy: -1232.621 where: short stacking energy: -498.484 Base-Backbone interact. energy: -2.176 local terms energy: -604.222886 where: bonds (distance) C4'-P energy: -119.290 bonds (distance) P-C4' energy: -136.251 flat angles C4'-P-C4' energy: -132.501 flat angles P-C4'-P energy: -68.934 tors. eta vs tors. theta energy: -147.247 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: 6 ===================================== Write number: 86 Temperature: 1.050000 Total energy: -1764.095016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1764.095016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1764.095016 (E_RNA) where: Base-Base interactions energy: -1133.025 where: short stacking energy: -514.090 Base-Backbone interact. energy: -1.670 local terms energy: -629.399974 where: bonds (distance) C4'-P energy: -118.417 bonds (distance) P-C4' energy: -125.665 flat angles C4'-P-C4' energy: -140.462 flat angles P-C4'-P energy: -105.090 tors. eta vs tors. theta energy: -139.765 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 86 Temperature: 1.100000 Total energy: -1627.057769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1627.057769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1627.057769 (E_RNA) where: Base-Base interactions energy: -1059.646 where: short stacking energy: -458.809 Base-Backbone interact. energy: 1.045 local terms energy: -568.457328 where: bonds (distance) C4'-P energy: -122.861 bonds (distance) P-C4' energy: -113.412 flat angles C4'-P-C4' energy: -137.370 flat angles P-C4'-P energy: -67.674 tors. eta vs tors. theta energy: -127.140 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 86 Temperature: 1.150000 Total energy: -1409.431266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1409.431266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1409.431266 (E_RNA) where: Base-Base interactions energy: -885.811 where: short stacking energy: -384.848 Base-Backbone interact. energy: -1.143 local terms energy: -522.477074 where: bonds (distance) C4'-P energy: -117.347 bonds (distance) P-C4' energy: -120.565 flat angles C4'-P-C4' energy: -116.698 flat angles P-C4'-P energy: -77.821 tors. eta vs tors. theta energy: -90.046 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: 7 ===================================== Write number: 86 Temperature: 1.200000 Total energy: -1235.331841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1235.331841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1235.331841 (E_RNA) where: Base-Base interactions energy: -748.960 where: short stacking energy: -347.786 Base-Backbone interact. energy: 8.536 local terms energy: -494.907592 where: bonds (distance) C4'-P energy: -104.051 bonds (distance) P-C4' energy: -132.269 flat angles C4'-P-C4' energy: -103.005 flat angles P-C4'-P energy: -82.215 tors. eta vs tors. theta energy: -73.368 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: 1 ===================================== Write number: 86 Temperature: 1.250000 Total energy: -838.200247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -838.200247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -838.200247 (E_RNA) where: Base-Base interactions energy: -458.106 where: short stacking energy: -247.222 Base-Backbone interact. energy: -3.202 local terms energy: -376.892367 where: bonds (distance) C4'-P energy: -106.134 bonds (distance) P-C4' energy: -115.892 flat angles C4'-P-C4' energy: -89.712 flat angles P-C4'-P energy: -46.015 tors. eta vs tors. theta energy: -19.139 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 86 Temperature: 1.300000 Total energy: -534.960795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -534.960795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -534.960795 (E_RNA) where: Base-Base interactions energy: -167.161 where: short stacking energy: -136.627 Base-Backbone interact. energy: 8.660 local terms energy: -376.459739 where: bonds (distance) C4'-P energy: -108.515 bonds (distance) P-C4' energy: -123.152 flat angles C4'-P-C4' energy: -107.174 flat angles P-C4'-P energy: -57.454 tors. eta vs tors. theta energy: 19.835 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: 9 ===================================== Write number: 86 Temperature: 1.350000 Total energy: -525.373348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -525.373348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -525.373348 (E_RNA) where: Base-Base interactions energy: -203.785 where: short stacking energy: -132.978 Base-Backbone interact. energy: -1.836 local terms energy: -319.753059 where: bonds (distance) C4'-P energy: -119.013 bonds (distance) P-C4' energy: -97.919 flat angles C4'-P-C4' energy: -82.038 flat angles P-C4'-P energy: -50.191 tors. eta vs tors. theta energy: 29.409 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 87 Temperature: 0.900000 Total energy: -2099.529763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2099.529763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2099.529763 (E_RNA) where: Base-Base interactions energy: -1395.412 where: short stacking energy: -611.435 Base-Backbone interact. energy: -0.621 local terms energy: -703.496416 where: bonds (distance) C4'-P energy: -140.001 bonds (distance) P-C4' energy: -139.960 flat angles C4'-P-C4' energy: -154.672 flat angles P-C4'-P energy: -95.965 tors. eta vs tors. theta energy: -172.898 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: 87 Temperature: 0.950000 Total energy: -2010.928821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2010.928821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2010.928821 (E_RNA) where: Base-Base interactions energy: -1328.927 where: short stacking energy: -587.219 Base-Backbone interact. energy: -3.828 local terms energy: -678.173037 where: bonds (distance) C4'-P energy: -127.510 bonds (distance) P-C4' energy: -130.019 flat angles C4'-P-C4' energy: -144.465 flat angles P-C4'-P energy: -96.568 tors. eta vs tors. theta energy: -179.611 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: 8 ===================================== Write number: 87 Temperature: 1.000000 Total energy: -1804.556773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1804.556773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1804.556773 (E_RNA) where: Base-Base interactions energy: -1173.816 where: short stacking energy: -491.199 Base-Backbone interact. energy: -3.344 local terms energy: -627.396751 where: bonds (distance) C4'-P energy: -124.031 bonds (distance) P-C4' energy: -118.937 flat angles C4'-P-C4' energy: -152.180 flat angles P-C4'-P energy: -81.017 tors. eta vs tors. theta energy: -151.232 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 87 Temperature: 1.050000 Total energy: -1778.848358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1778.848358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1778.848358 (E_RNA) where: Base-Base interactions energy: -1167.463 where: short stacking energy: -513.540 Base-Backbone interact. energy: -2.927 local terms energy: -608.458534 where: bonds (distance) C4'-P energy: -122.374 bonds (distance) P-C4' energy: -113.465 flat angles C4'-P-C4' energy: -148.275 flat angles P-C4'-P energy: -87.197 tors. eta vs tors. theta energy: -137.147 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: 4 ===================================== Write number: 87 Temperature: 1.100000 Total energy: -1618.959954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1618.959954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1618.959954 (E_RNA) where: Base-Base interactions energy: -1025.089 where: short stacking energy: -437.668 Base-Backbone interact. energy: -0.435 local terms energy: -593.435423 where: bonds (distance) C4'-P energy: -110.773 bonds (distance) P-C4' energy: -129.074 flat angles C4'-P-C4' energy: -125.095 flat angles P-C4'-P energy: -86.131 tors. eta vs tors. theta energy: -142.362 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 87 Temperature: 1.150000 Total energy: -1376.713852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1376.713852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1376.713852 (E_RNA) where: Base-Base interactions energy: -878.630 where: short stacking energy: -371.323 Base-Backbone interact. energy: -0.066 local terms energy: -498.017217 where: bonds (distance) C4'-P energy: -112.546 bonds (distance) P-C4' energy: -103.854 flat angles C4'-P-C4' energy: -126.112 flat angles P-C4'-P energy: -77.998 tors. eta vs tors. theta energy: -77.507 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 87 Temperature: 1.200000 Total energy: -1211.964582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1211.964582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1211.964582 (E_RNA) where: Base-Base interactions energy: -741.126 where: short stacking energy: -358.396 Base-Backbone interact. energy: -6.023 local terms energy: -464.816226 where: bonds (distance) C4'-P energy: -91.912 bonds (distance) P-C4' energy: -117.146 flat angles C4'-P-C4' energy: -101.606 flat angles P-C4'-P energy: -80.551 tors. eta vs tors. theta energy: -73.601 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 87 Temperature: 1.250000 Total energy: -869.810449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -869.810449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -869.810449 (E_RNA) where: Base-Base interactions energy: -476.513 where: short stacking energy: -244.529 Base-Backbone interact. energy: 8.587 local terms energy: -401.884923 where: bonds (distance) C4'-P energy: -100.341 bonds (distance) P-C4' energy: -100.772 flat angles C4'-P-C4' energy: -101.055 flat angles P-C4'-P energy: -76.756 tors. eta vs tors. theta energy: -22.962 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: 9, replica: 3 ===================================== Write number: 87 Temperature: 1.300000 Total energy: -529.002941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -529.002941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -529.002941 (E_RNA) where: Base-Base interactions energy: -172.622 where: short stacking energy: -104.198 Base-Backbone interact. energy: -2.176 local terms energy: -354.205577 where: bonds (distance) C4'-P energy: -103.463 bonds (distance) P-C4' energy: -102.719 flat angles C4'-P-C4' energy: -93.504 flat angles P-C4'-P energy: -87.337 tors. eta vs tors. theta energy: 32.817 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 87 Temperature: 1.350000 Total energy: -457.875290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -457.875290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -457.875290 (E_RNA) where: Base-Base interactions energy: -138.381 where: short stacking energy: -123.465 Base-Backbone interact. energy: -4.046 local terms energy: -315.448108 where: bonds (distance) C4'-P energy: -111.704 bonds (distance) P-C4' energy: -117.489 flat angles C4'-P-C4' energy: -73.454 flat angles P-C4'-P energy: -44.430 tors. eta vs tors. theta energy: 31.628 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: 5 ===================================== Write number: 88 Temperature: 0.900000 Total energy: -2104.941440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2104.941440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2104.941440 (E_RNA) where: Base-Base interactions energy: -1412.783 where: short stacking energy: -593.440 Base-Backbone interact. energy: -3.259 local terms energy: -688.899596 where: bonds (distance) C4'-P energy: -138.109 bonds (distance) P-C4' energy: -127.987 flat angles C4'-P-C4' energy: -146.549 flat angles P-C4'-P energy: -99.930 tors. eta vs tors. theta energy: -176.325 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: 2, replica: 10 ===================================== Write number: 88 Temperature: 0.950000 Total energy: -1984.913835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1984.913835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1984.913835 (E_RNA) where: Base-Base interactions energy: -1314.842 where: short stacking energy: -570.567 Base-Backbone interact. energy: -2.149 local terms energy: -667.922636 where: bonds (distance) C4'-P energy: -111.722 bonds (distance) P-C4' energy: -143.726 flat angles C4'-P-C4' energy: -152.373 flat angles P-C4'-P energy: -84.817 tors. eta vs tors. theta energy: -175.285 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 88 Temperature: 1.000000 Total energy: -1808.872203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1808.872203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1808.872203 (E_RNA) where: Base-Base interactions energy: -1180.632 where: short stacking energy: -475.476 Base-Backbone interact. energy: -0.321 local terms energy: -627.919594 where: bonds (distance) C4'-P energy: -117.610 bonds (distance) P-C4' energy: -131.336 flat angles C4'-P-C4' energy: -137.255 flat angles P-C4'-P energy: -91.418 tors. eta vs tors. theta energy: -150.301 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: 6 ===================================== Write number: 88 Temperature: 1.050000 Total energy: -1746.098915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1746.098915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1746.098915 (E_RNA) where: Base-Base interactions energy: -1147.248 where: short stacking energy: -484.995 Base-Backbone interact. energy: 0.780 local terms energy: -599.631215 where: bonds (distance) C4'-P energy: -134.932 bonds (distance) P-C4' energy: -116.282 flat angles C4'-P-C4' energy: -128.893 flat angles P-C4'-P energy: -82.226 tors. eta vs tors. theta energy: -137.298 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: 4 ===================================== Write number: 88 Temperature: 1.100000 Total energy: -1648.919514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1648.919514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1648.919514 (E_RNA) where: Base-Base interactions energy: -1057.099 where: short stacking energy: -418.951 Base-Backbone interact. energy: 0.030 local terms energy: -591.849987 where: bonds (distance) C4'-P energy: -128.319 bonds (distance) P-C4' energy: -128.298 flat angles C4'-P-C4' energy: -139.443 flat angles P-C4'-P energy: -82.811 tors. eta vs tors. theta energy: -112.979 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 88 Temperature: 1.150000 Total energy: -1348.721934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1348.721934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1348.721934 (E_RNA) where: Base-Base interactions energy: -834.966 where: short stacking energy: -409.521 Base-Backbone interact. energy: -1.354 local terms energy: -512.560812 where: bonds (distance) C4'-P energy: -116.044 bonds (distance) P-C4' energy: -99.402 flat angles C4'-P-C4' energy: -128.256 flat angles P-C4'-P energy: -76.717 tors. eta vs tors. theta energy: -92.142 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.159 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 88 Temperature: 1.200000 Total energy: -1115.348508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1115.348508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1115.348508 (E_RNA) where: Base-Base interactions energy: -677.990 where: short stacking energy: -280.941 Base-Backbone interact. energy: 6.283 local terms energy: -443.641044 where: bonds (distance) C4'-P energy: -100.373 bonds (distance) P-C4' energy: -114.882 flat angles C4'-P-C4' energy: -110.945 flat angles P-C4'-P energy: -78.091 tors. eta vs tors. theta energy: -39.351 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 88 Temperature: 1.250000 Total energy: -892.690621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -892.690621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -892.690621 (E_RNA) where: Base-Base interactions energy: -488.679 where: short stacking energy: -226.933 Base-Backbone interact. energy: -2.829 local terms energy: -401.182681 where: bonds (distance) C4'-P energy: -107.917 bonds (distance) P-C4' energy: -108.891 flat angles C4'-P-C4' energy: -113.764 flat angles P-C4'-P energy: -42.855 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: 9, replica: 9 ===================================== Write number: 88 Temperature: 1.300000 Total energy: -533.553433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -533.553433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -533.553433 (E_RNA) where: Base-Base interactions energy: -183.594 where: short stacking energy: -135.770 Base-Backbone interact. energy: 6.087 local terms energy: -356.046143 where: bonds (distance) C4'-P energy: -115.561 bonds (distance) P-C4' energy: -115.109 flat angles C4'-P-C4' energy: -84.969 flat angles P-C4'-P energy: -62.777 tors. eta vs tors. theta energy: 22.371 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 88 Temperature: 1.350000 Total energy: -497.135315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -497.135315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -497.135315 (E_RNA) where: Base-Base interactions energy: -161.334 where: short stacking energy: -124.997 Base-Backbone interact. energy: -1.432 local terms energy: -334.641460 where: bonds (distance) C4'-P energy: -97.464 bonds (distance) P-C4' energy: -127.055 flat angles C4'-P-C4' energy: -93.916 flat angles P-C4'-P energy: -49.029 tors. eta vs tors. theta energy: 32.822 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.272 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 89 Temperature: 0.900000 Total energy: -2133.386231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2133.386231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2133.386231 (E_RNA) where: Base-Base interactions energy: -1437.394 where: short stacking energy: -594.347 Base-Backbone interact. energy: -1.499 local terms energy: -694.493437 where: bonds (distance) C4'-P energy: -141.920 bonds (distance) P-C4' energy: -137.122 flat angles C4'-P-C4' energy: -145.604 flat angles P-C4'-P energy: -95.963 tors. eta vs tors. theta energy: -173.885 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: 2, replica: 10 ===================================== Write number: 89 Temperature: 0.950000 Total energy: -2007.057527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2007.057527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2007.057527 (E_RNA) where: Base-Base interactions energy: -1344.009 where: short stacking energy: -591.940 Base-Backbone interact. energy: -3.994 local terms energy: -659.054501 where: bonds (distance) C4'-P energy: -113.017 bonds (distance) P-C4' energy: -118.278 flat angles C4'-P-C4' energy: -144.149 flat angles P-C4'-P energy: -102.835 tors. eta vs tors. theta energy: -180.777 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 89 Temperature: 1.000000 Total energy: -1828.634045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1828.634045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1828.634045 (E_RNA) where: Base-Base interactions energy: -1196.503 where: short stacking energy: -487.402 Base-Backbone interact. energy: -4.337 local terms energy: -627.793505 where: bonds (distance) C4'-P energy: -124.879 bonds (distance) P-C4' energy: -127.109 flat angles C4'-P-C4' energy: -143.321 flat angles P-C4'-P energy: -91.444 tors. eta vs tors. theta energy: -141.042 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 89 Temperature: 1.050000 Total energy: -1799.088462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1799.088462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1799.088462 (E_RNA) where: Base-Base interactions energy: -1184.579 where: short stacking energy: -512.280 Base-Backbone interact. energy: -4.063 local terms energy: -610.447064 where: bonds (distance) C4'-P energy: -115.727 bonds (distance) P-C4' energy: -119.121 flat angles C4'-P-C4' energy: -134.626 flat angles P-C4'-P energy: -92.965 tors. eta vs tors. theta energy: -148.008 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 89 Temperature: 1.100000 Total energy: -1596.442940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1596.442940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1596.442940 (E_RNA) where: Base-Base interactions energy: -1028.126 where: short stacking energy: -413.600 Base-Backbone interact. energy: 0.453 local terms energy: -568.770705 where: bonds (distance) C4'-P energy: -116.178 bonds (distance) P-C4' energy: -126.661 flat angles C4'-P-C4' energy: -119.996 flat angles P-C4'-P energy: -89.554 tors. eta vs tors. theta energy: -116.382 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: 2 ===================================== Write number: 89 Temperature: 1.150000 Total energy: -1335.004677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1335.004677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1335.004677 (E_RNA) where: Base-Base interactions energy: -795.856 where: short stacking energy: -349.817 Base-Backbone interact. energy: 2.418 local terms energy: -541.566492 where: bonds (distance) C4'-P energy: -119.038 bonds (distance) P-C4' energy: -132.232 flat angles C4'-P-C4' energy: -110.790 flat angles P-C4'-P energy: -89.674 tors. eta vs tors. theta energy: -89.832 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: 7, replica: 7 ===================================== Write number: 89 Temperature: 1.200000 Total energy: -1250.276063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1250.276063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1250.276063 (E_RNA) where: Base-Base interactions energy: -791.211 where: short stacking energy: -334.272 Base-Backbone interact. energy: -2.747 local terms energy: -456.318189 where: bonds (distance) C4'-P energy: -92.357 bonds (distance) P-C4' energy: -112.481 flat angles C4'-P-C4' energy: -118.236 flat angles P-C4'-P energy: -60.466 tors. eta vs tors. theta energy: -72.780 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 89 Temperature: 1.250000 Total energy: -942.479674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -942.479674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -942.479674 (E_RNA) where: Base-Base interactions energy: -531.245 where: short stacking energy: -274.734 Base-Backbone interact. energy: 1.030 local terms energy: -412.264415 where: bonds (distance) C4'-P energy: -96.565 bonds (distance) P-C4' energy: -94.401 flat angles C4'-P-C4' energy: -107.016 flat angles P-C4'-P energy: -78.184 tors. eta vs tors. theta energy: -36.099 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 89 Temperature: 1.300000 Total energy: -550.544234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -550.544234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -550.544234 (E_RNA) where: Base-Base interactions energy: -216.767 where: short stacking energy: -157.029 Base-Backbone interact. energy: 3.425 local terms energy: -337.201952 where: bonds (distance) C4'-P energy: -93.306 bonds (distance) P-C4' energy: -123.469 flat angles C4'-P-C4' energy: -67.978 flat angles P-C4'-P energy: -67.652 tors. eta vs tors. theta energy: 15.203 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 89 Temperature: 1.350000 Total energy: -486.850651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -486.850651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -486.850651 (E_RNA) where: Base-Base interactions energy: -180.403 where: short stacking energy: -115.183 Base-Backbone interact. energy: -2.188 local terms energy: -304.260083 where: bonds (distance) C4'-P energy: -107.436 bonds (distance) P-C4' energy: -101.867 flat angles C4'-P-C4' energy: -82.157 flat angles P-C4'-P energy: -58.265 tors. eta vs tors. theta energy: 45.466 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 90 Temperature: 0.900000 Total energy: -2126.012020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2126.012020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2126.012020 (E_RNA) where: Base-Base interactions energy: -1439.731 where: short stacking energy: -584.258 Base-Backbone interact. energy: -1.077 local terms energy: -685.204751 where: bonds (distance) C4'-P energy: -138.742 bonds (distance) P-C4' energy: -132.379 flat angles C4'-P-C4' energy: -146.073 flat angles P-C4'-P energy: -94.240 tors. eta vs tors. theta energy: -173.770 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 90 Temperature: 0.950000 Total energy: -2051.697876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2051.697876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2051.697876 (E_RNA) where: Base-Base interactions energy: -1380.602 where: short stacking energy: -585.758 Base-Backbone interact. energy: -4.879 local terms energy: -666.216542 where: bonds (distance) C4'-P energy: -127.225 bonds (distance) P-C4' energy: -128.672 flat angles C4'-P-C4' energy: -144.942 flat angles P-C4'-P energy: -90.151 tors. eta vs tors. theta energy: -175.226 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 90 Temperature: 1.000000 Total energy: -1808.571009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1808.571009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1808.571009 (E_RNA) where: Base-Base interactions energy: -1216.002 where: short stacking energy: -524.893 Base-Backbone interact. energy: -1.075 local terms energy: -591.494257 where: bonds (distance) C4'-P energy: -106.987 bonds (distance) P-C4' energy: -134.805 flat angles C4'-P-C4' energy: -128.190 flat angles P-C4'-P energy: -86.772 tors. eta vs tors. theta energy: -134.740 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 90 Temperature: 1.050000 Total energy: -1796.587247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1796.587247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1796.587247 (E_RNA) where: Base-Base interactions energy: -1172.648 where: short stacking energy: -511.605 Base-Backbone interact. energy: -2.707 local terms energy: -621.232740 where: bonds (distance) C4'-P energy: -99.816 bonds (distance) P-C4' energy: -137.492 flat angles C4'-P-C4' energy: -136.702 flat angles P-C4'-P energy: -102.407 tors. eta vs tors. theta energy: -144.814 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 90 Temperature: 1.100000 Total energy: -1616.808212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1616.808212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1616.808212 (E_RNA) where: Base-Base interactions energy: -1037.488 where: short stacking energy: -448.650 Base-Backbone interact. energy: -0.655 local terms energy: -578.665595 where: bonds (distance) C4'-P energy: -108.693 bonds (distance) P-C4' energy: -121.473 flat angles C4'-P-C4' energy: -138.467 flat angles P-C4'-P energy: -86.180 tors. eta vs tors. theta energy: -123.853 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 90 Temperature: 1.150000 Total energy: -1375.246659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1375.246659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1375.246659 (E_RNA) where: Base-Base interactions energy: -867.485 where: short stacking energy: -403.000 Base-Backbone interact. energy: -1.888 local terms energy: -505.874006 where: bonds (distance) C4'-P energy: -107.640 bonds (distance) P-C4' energy: -110.887 flat angles C4'-P-C4' energy: -118.927 flat angles P-C4'-P energy: -71.060 tors. eta vs tors. theta energy: -97.360 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 90 Temperature: 1.200000 Total energy: -1256.059190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1256.059190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1256.059190 (E_RNA) where: Base-Base interactions energy: -782.322 where: short stacking energy: -355.319 Base-Backbone interact. energy: 0.849 local terms energy: -474.585734 where: bonds (distance) C4'-P energy: -115.461 bonds (distance) P-C4' energy: -102.037 flat angles C4'-P-C4' energy: -107.904 flat angles P-C4'-P energy: -53.063 tors. eta vs tors. theta energy: -96.121 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 90 Temperature: 1.250000 Total energy: -895.797487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -895.797487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -895.797487 (E_RNA) where: Base-Base interactions energy: -471.381 where: short stacking energy: -225.115 Base-Backbone interact. energy: -2.776 local terms energy: -421.640877 where: bonds (distance) C4'-P energy: -119.177 bonds (distance) P-C4' energy: -112.505 flat angles C4'-P-C4' energy: -99.259 flat angles P-C4'-P energy: -65.168 tors. eta vs tors. theta energy: -25.532 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: 3 ===================================== Write number: 90 Temperature: 1.300000 Total energy: -539.829895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -539.829895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -539.829895 (E_RNA) where: Base-Base interactions energy: -185.214 where: short stacking energy: -151.174 Base-Backbone interact. energy: -1.778 local terms energy: -352.837305 where: bonds (distance) C4'-P energy: -99.498 bonds (distance) P-C4' energy: -124.603 flat angles C4'-P-C4' energy: -93.808 flat angles P-C4'-P energy: -46.008 tors. eta vs tors. theta energy: 11.080 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: 10, replica: 9 ===================================== Write number: 90 Temperature: 1.350000 Total energy: -513.076582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -513.076582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -513.076582 (E_RNA) where: Base-Base interactions energy: -172.557 where: short stacking energy: -128.128 Base-Backbone interact. energy: 3.451 local terms energy: -343.970716 where: bonds (distance) C4'-P energy: -110.465 bonds (distance) P-C4' energy: -119.053 flat angles C4'-P-C4' energy: -81.285 flat angles P-C4'-P energy: -53.270 tors. eta vs tors. theta energy: 20.101 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: 1, replica: 5 ===================================== Write number: 91 Temperature: 0.900000 Total energy: -2107.466025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2107.466025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2107.466025 (E_RNA) where: Base-Base interactions energy: -1418.509 where: short stacking energy: -575.935 Base-Backbone interact. energy: -3.252 local terms energy: -685.704311 where: bonds (distance) C4'-P energy: -130.550 bonds (distance) P-C4' energy: -131.492 flat angles C4'-P-C4' energy: -155.177 flat angles P-C4'-P energy: -102.773 tors. eta vs tors. theta energy: -165.712 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 91 Temperature: 0.950000 Total energy: -2025.126948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2025.126948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2025.126948 (E_RNA) where: Base-Base interactions energy: -1341.285 where: short stacking energy: -574.322 Base-Backbone interact. energy: -2.990 local terms energy: -680.852265 where: bonds (distance) C4'-P energy: -125.196 bonds (distance) P-C4' energy: -136.022 flat angles C4'-P-C4' energy: -152.908 flat angles P-C4'-P energy: -94.737 tors. eta vs tors. theta energy: -171.989 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: 3, replica: 8 ===================================== Write number: 91 Temperature: 1.000000 Total energy: -1787.527089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1787.527089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1787.527089 (E_RNA) where: Base-Base interactions energy: -1176.034 where: short stacking energy: -479.612 Base-Backbone interact. energy: -2.607 local terms energy: -608.886051 where: bonds (distance) C4'-P energy: -127.471 bonds (distance) P-C4' energy: -131.959 flat angles C4'-P-C4' energy: -134.501 flat angles P-C4'-P energy: -81.465 tors. eta vs tors. theta energy: -133.490 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 91 Temperature: 1.050000 Total energy: -1724.486302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1724.486302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1724.486302 (E_RNA) where: Base-Base interactions energy: -1110.553 where: short stacking energy: -490.939 Base-Backbone interact. energy: 0.530 local terms energy: -614.463185 where: bonds (distance) C4'-P energy: -120.763 bonds (distance) P-C4' energy: -133.890 flat angles C4'-P-C4' energy: -135.235 flat angles P-C4'-P energy: -88.173 tors. eta vs tors. theta energy: -136.403 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 91 Temperature: 1.100000 Total energy: -1569.456860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1569.456860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1569.456860 (E_RNA) where: Base-Base interactions energy: -1006.141 where: short stacking energy: -471.583 Base-Backbone interact. energy: -4.345 local terms energy: -558.970543 where: bonds (distance) C4'-P energy: -107.803 bonds (distance) P-C4' energy: -109.408 flat angles C4'-P-C4' energy: -134.380 flat angles P-C4'-P energy: -79.411 tors. eta vs tors. theta energy: -127.968 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: 2 ===================================== Write number: 91 Temperature: 1.150000 Total energy: -1319.096048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1319.096048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1319.096048 (E_RNA) where: Base-Base interactions energy: -774.318 where: short stacking energy: -364.840 Base-Backbone interact. energy: -1.252 local terms energy: -543.525939 where: bonds (distance) C4'-P energy: -112.141 bonds (distance) P-C4' energy: -128.341 flat angles C4'-P-C4' energy: -125.260 flat angles P-C4'-P energy: -78.268 tors. eta vs tors. theta energy: -99.515 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: 91 Temperature: 1.200000 Total energy: -1238.448664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1238.448664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1238.448664 (E_RNA) where: Base-Base interactions energy: -802.518 where: short stacking energy: -342.623 Base-Backbone interact. energy: 0.186 local terms energy: -436.116735 where: bonds (distance) C4'-P energy: -105.547 bonds (distance) P-C4' energy: -108.083 flat angles C4'-P-C4' energy: -123.927 flat angles P-C4'-P energy: -47.666 tors. eta vs tors. theta energy: -50.893 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 91 Temperature: 1.250000 Total energy: -886.488092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -886.488092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -886.488092 (E_RNA) where: Base-Base interactions energy: -439.926 where: short stacking energy: -224.300 Base-Backbone interact. energy: -0.501 local terms energy: -447.838092 where: bonds (distance) C4'-P energy: -103.279 bonds (distance) P-C4' energy: -123.991 flat angles C4'-P-C4' energy: -112.352 flat angles P-C4'-P energy: -64.296 tors. eta vs tors. theta energy: -43.920 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 1.777 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 91 Temperature: 1.300000 Total energy: -535.038366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -535.038366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -535.038366 (E_RNA) where: Base-Base interactions energy: -167.892 where: short stacking energy: -151.327 Base-Backbone interact. energy: -0.897 local terms energy: -366.249601 where: bonds (distance) C4'-P energy: -101.332 bonds (distance) P-C4' energy: -130.127 flat angles C4'-P-C4' energy: -99.545 flat angles P-C4'-P energy: -67.476 tors. eta vs tors. theta energy: 32.229 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 91 Temperature: 1.350000 Total energy: -486.629023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -486.629023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -486.629023 (E_RNA) where: Base-Base interactions energy: -128.156 where: short stacking energy: -116.097 Base-Backbone interact. energy: -0.367 local terms energy: -358.106470 where: bonds (distance) C4'-P energy: -99.946 bonds (distance) P-C4' energy: -132.003 flat angles C4'-P-C4' energy: -94.417 flat angles P-C4'-P energy: -53.305 tors. eta vs tors. theta energy: 21.565 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 92 Temperature: 0.900000 Total energy: -2099.852997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2099.852997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2099.852997 (E_RNA) where: Base-Base interactions energy: -1410.938 where: short stacking energy: -594.130 Base-Backbone interact. energy: -3.524 local terms energy: -685.390538 where: bonds (distance) C4'-P energy: -131.847 bonds (distance) P-C4' energy: -136.695 flat angles C4'-P-C4' energy: -143.235 flat angles P-C4'-P energy: -98.428 tors. eta vs tors. theta energy: -175.186 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: 92 Temperature: 0.950000 Total energy: -2007.004846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2007.004846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2007.004846 (E_RNA) where: Base-Base interactions energy: -1362.844 where: short stacking energy: -566.607 Base-Backbone interact. energy: -5.182 local terms energy: -638.978818 where: bonds (distance) C4'-P energy: -126.252 bonds (distance) P-C4' energy: -137.253 flat angles C4'-P-C4' energy: -142.160 flat angles P-C4'-P energy: -73.199 tors. eta vs tors. theta energy: -160.115 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 92 Temperature: 1.000000 Total energy: -1690.323721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1690.323721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1690.323721 (E_RNA) where: Base-Base interactions energy: -1118.988 where: short stacking energy: -472.878 Base-Backbone interact. energy: -0.399 local terms energy: -570.936175 where: bonds (distance) C4'-P energy: -122.002 bonds (distance) P-C4' energy: -131.988 flat angles C4'-P-C4' energy: -114.695 flat angles P-C4'-P energy: -76.947 tors. eta vs tors. theta energy: -125.304 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 92 Temperature: 1.050000 Total energy: -1721.677676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1721.677676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1721.677676 (E_RNA) where: Base-Base interactions energy: -1106.478 where: short stacking energy: -459.515 Base-Backbone interact. energy: 0.470 local terms energy: -615.670038 where: bonds (distance) C4'-P energy: -129.598 bonds (distance) P-C4' energy: -136.099 flat angles C4'-P-C4' energy: -135.616 flat angles P-C4'-P energy: -81.555 tors. eta vs tors. theta energy: -132.801 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 92 Temperature: 1.100000 Total energy: -1610.354497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1610.354497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1610.354497 (E_RNA) where: Base-Base interactions energy: -1064.630 where: short stacking energy: -457.829 Base-Backbone interact. energy: -3.566 local terms energy: -542.158112 where: bonds (distance) C4'-P energy: -119.765 bonds (distance) P-C4' energy: -99.578 flat angles C4'-P-C4' energy: -118.675 flat angles P-C4'-P energy: -78.116 tors. eta vs tors. theta energy: -126.024 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 92 Temperature: 1.150000 Total energy: -1373.835335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1373.835335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1373.835335 (E_RNA) where: Base-Base interactions energy: -838.441 where: short stacking energy: -373.983 Base-Backbone interact. energy: -1.039 local terms energy: -534.355580 where: bonds (distance) C4'-P energy: -116.365 bonds (distance) P-C4' energy: -132.960 flat angles C4'-P-C4' energy: -123.415 flat angles P-C4'-P energy: -79.141 tors. eta vs tors. theta energy: -82.475 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: 92 Temperature: 1.200000 Total energy: -1169.223265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1169.223265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1169.223265 (E_RNA) where: Base-Base interactions energy: -716.075 where: short stacking energy: -298.950 Base-Backbone interact. energy: -2.849 local terms energy: -450.298885 where: bonds (distance) C4'-P energy: -125.213 bonds (distance) P-C4' energy: -106.624 flat angles C4'-P-C4' energy: -97.680 flat angles P-C4'-P energy: -68.242 tors. eta vs tors. theta energy: -52.540 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 92 Temperature: 1.250000 Total energy: -791.313770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -791.313770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -791.313770 (E_RNA) where: Base-Base interactions energy: -397.546 where: short stacking energy: -205.327 Base-Backbone interact. energy: 4.414 local terms energy: -398.182699 where: bonds (distance) C4'-P energy: -116.769 bonds (distance) P-C4' energy: -115.383 flat angles C4'-P-C4' energy: -88.619 flat angles P-C4'-P energy: -56.918 tors. eta vs tors. theta energy: -20.494 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: 9 ===================================== Write number: 92 Temperature: 1.300000 Total energy: -545.459253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -545.459253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -545.459253 (E_RNA) where: Base-Base interactions energy: -182.542 where: short stacking energy: -145.922 Base-Backbone interact. energy: 0.540 local terms energy: -363.457513 where: bonds (distance) C4'-P energy: -105.853 bonds (distance) P-C4' energy: -121.174 flat angles C4'-P-C4' energy: -97.893 flat angles P-C4'-P energy: -62.433 tors. eta vs tors. theta energy: 23.895 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 92 Temperature: 1.350000 Total energy: -475.064359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -475.064359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -475.064359 (E_RNA) where: Base-Base interactions energy: -148.240 where: short stacking energy: -105.981 Base-Backbone interact. energy: 1.000 local terms energy: -327.824599 where: bonds (distance) C4'-P energy: -122.313 bonds (distance) P-C4' energy: -113.360 flat angles C4'-P-C4' energy: -99.013 flat angles P-C4'-P energy: -39.659 tors. eta vs tors. theta energy: 46.521 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: 5 ===================================== Write number: 93 Temperature: 0.900000 Total energy: -2115.019254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2115.019254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2115.019254 (E_RNA) where: Base-Base interactions energy: -1412.572 where: short stacking energy: -600.956 Base-Backbone interact. energy: -1.126 local terms energy: -701.321339 where: bonds (distance) C4'-P energy: -123.827 bonds (distance) P-C4' energy: -131.701 flat angles C4'-P-C4' energy: -158.519 flat angles P-C4'-P energy: -111.281 tors. eta vs tors. theta energy: -175.993 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: 10 ===================================== Write number: 93 Temperature: 0.950000 Total energy: -2015.233079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2015.233079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2015.233079 (E_RNA) where: Base-Base interactions energy: -1366.412 where: short stacking energy: -564.871 Base-Backbone interact. energy: -0.424 local terms energy: -648.396637 where: bonds (distance) C4'-P energy: -139.942 bonds (distance) P-C4' energy: -123.429 flat angles C4'-P-C4' energy: -133.124 flat angles P-C4'-P energy: -85.827 tors. eta vs tors. theta energy: -166.074 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 93 Temperature: 1.000000 Total energy: -1832.563401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1832.563401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1832.563401 (E_RNA) where: Base-Base interactions energy: -1189.356 where: short stacking energy: -509.998 Base-Backbone interact. energy: -2.789 local terms energy: -640.419080 where: bonds (distance) C4'-P energy: -125.101 bonds (distance) P-C4' energy: -132.093 flat angles C4'-P-C4' energy: -138.171 flat angles P-C4'-P energy: -86.756 tors. eta vs tors. theta energy: -158.298 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: 6 ===================================== Write number: 93 Temperature: 1.050000 Total energy: -1791.698325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1791.698325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1791.698325 (E_RNA) where: Base-Base interactions energy: -1179.777 where: short stacking energy: -511.499 Base-Backbone interact. energy: 1.966 local terms energy: -613.887470 where: bonds (distance) C4'-P energy: -110.494 bonds (distance) P-C4' energy: -137.535 flat angles C4'-P-C4' energy: -129.165 flat angles P-C4'-P energy: -91.583 tors. eta vs tors. theta energy: -145.110 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: 4 ===================================== Write number: 93 Temperature: 1.100000 Total energy: -1651.568103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1651.568103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1651.568103 (E_RNA) where: Base-Base interactions energy: -1074.651 where: short stacking energy: -452.907 Base-Backbone interact. energy: -1.206 local terms energy: -575.711164 where: bonds (distance) C4'-P energy: -118.633 bonds (distance) P-C4' energy: -115.078 flat angles C4'-P-C4' energy: -132.380 flat angles P-C4'-P energy: -81.588 tors. eta vs tors. theta energy: -128.032 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 93 Temperature: 1.150000 Total energy: -1389.021352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1389.021352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1389.021352 (E_RNA) where: Base-Base interactions energy: -870.095 where: short stacking energy: -363.315 Base-Backbone interact. energy: -3.796 local terms energy: -515.130600 where: bonds (distance) C4'-P energy: -127.167 bonds (distance) P-C4' energy: -119.790 flat angles C4'-P-C4' energy: -122.082 flat angles P-C4'-P energy: -65.704 tors. eta vs tors. theta energy: -80.388 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 93 Temperature: 1.200000 Total energy: -1269.327704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1269.327704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1269.327704 (E_RNA) where: Base-Base interactions energy: -812.025 where: short stacking energy: -362.327 Base-Backbone interact. energy: -1.962 local terms energy: -455.341527 where: bonds (distance) C4'-P energy: -107.895 bonds (distance) P-C4' energy: -90.647 flat angles C4'-P-C4' energy: -122.230 flat angles P-C4'-P energy: -63.607 tors. eta vs tors. theta energy: -70.961 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 93 Temperature: 1.250000 Total energy: -868.263537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -868.263537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -868.263537 (E_RNA) where: Base-Base interactions energy: -461.050 where: short stacking energy: -237.946 Base-Backbone interact. energy: 0.624 local terms energy: -407.838284 where: bonds (distance) C4'-P energy: -115.893 bonds (distance) P-C4' energy: -113.590 flat angles C4'-P-C4' energy: -94.848 flat angles P-C4'-P energy: -58.075 tors. eta vs tors. theta energy: -25.433 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 93 Temperature: 1.300000 Total energy: -526.586832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -526.586832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.586832 (E_RNA) where: Base-Base interactions energy: -174.095 where: short stacking energy: -146.354 Base-Backbone interact. energy: -0.329 local terms energy: -352.162932 where: bonds (distance) C4'-P energy: -94.064 bonds (distance) P-C4' energy: -119.670 flat angles C4'-P-C4' energy: -94.238 flat angles P-C4'-P energy: -57.398 tors. eta vs tors. theta energy: 13.206 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 93 Temperature: 1.350000 Total energy: -491.103199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -491.103199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -491.103199 (E_RNA) where: Base-Base interactions energy: -165.453 where: short stacking energy: -116.493 Base-Backbone interact. energy: 1.425 local terms energy: -327.075816 where: bonds (distance) C4'-P energy: -120.521 bonds (distance) P-C4' energy: -119.838 flat angles C4'-P-C4' energy: -93.506 flat angles P-C4'-P energy: -48.706 tors. eta vs tors. theta energy: 55.495 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 94 Temperature: 0.900000 Total energy: -2079.321715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2079.321715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2079.321715 (E_RNA) where: Base-Base interactions energy: -1403.052 where: short stacking energy: -594.394 Base-Backbone interact. energy: -2.532 local terms energy: -673.738020 where: bonds (distance) C4'-P energy: -134.039 bonds (distance) P-C4' energy: -126.713 flat angles C4'-P-C4' energy: -146.253 flat angles P-C4'-P energy: -91.267 tors. eta vs tors. theta energy: -175.465 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 94 Temperature: 0.950000 Total energy: -2023.436675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2023.436675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2023.436675 (E_RNA) where: Base-Base interactions energy: -1347.964 where: short stacking energy: -574.318 Base-Backbone interact. energy: -2.892 local terms energy: -672.581126 where: bonds (distance) C4'-P energy: -131.683 bonds (distance) P-C4' energy: -138.091 flat angles C4'-P-C4' energy: -145.912 flat angles P-C4'-P energy: -96.418 tors. eta vs tors. theta energy: -160.477 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 94 Temperature: 1.000000 Total energy: -1810.619995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1810.619995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1810.619995 (E_RNA) where: Base-Base interactions energy: -1191.430 where: short stacking energy: -502.329 Base-Backbone interact. energy: -2.333 local terms energy: -616.857087 where: bonds (distance) C4'-P energy: -120.434 bonds (distance) P-C4' energy: -119.991 flat angles C4'-P-C4' energy: -138.584 flat angles P-C4'-P energy: -90.300 tors. eta vs tors. theta energy: -147.548 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: 4, replica: 6 ===================================== Write number: 94 Temperature: 1.050000 Total energy: -1792.696502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1792.696502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1792.696502 (E_RNA) where: Base-Base interactions energy: -1199.421 where: short stacking energy: -509.267 Base-Backbone interact. energy: -3.542 local terms energy: -589.733524 where: bonds (distance) C4'-P energy: -105.579 bonds (distance) P-C4' energy: -111.326 flat angles C4'-P-C4' energy: -142.752 flat angles P-C4'-P energy: -80.664 tors. eta vs tors. theta energy: -149.412 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 94 Temperature: 1.100000 Total energy: -1607.903962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1607.903962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1607.903962 (E_RNA) where: Base-Base interactions energy: -1042.823 where: short stacking energy: -426.919 Base-Backbone interact. energy: -0.875 local terms energy: -564.206209 where: bonds (distance) C4'-P energy: -109.769 bonds (distance) P-C4' energy: -120.245 flat angles C4'-P-C4' energy: -122.157 flat angles P-C4'-P energy: -87.936 tors. eta vs tors. theta energy: -124.098 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 94 Temperature: 1.150000 Total energy: -1319.786663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1319.786663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1319.786663 (E_RNA) where: Base-Base interactions energy: -823.088 where: short stacking energy: -352.631 Base-Backbone interact. energy: -0.573 local terms energy: -496.125226 where: bonds (distance) C4'-P energy: -100.336 bonds (distance) P-C4' energy: -125.009 flat angles C4'-P-C4' energy: -112.068 flat angles P-C4'-P energy: -75.535 tors. eta vs tors. theta energy: -83.178 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: 7 ===================================== Write number: 94 Temperature: 1.200000 Total energy: -1214.673283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1214.673283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1214.673283 (E_RNA) where: Base-Base interactions energy: -730.182 where: short stacking energy: -351.372 Base-Backbone interact. energy: -1.195 local terms energy: -483.296645 where: bonds (distance) C4'-P energy: -106.513 bonds (distance) P-C4' energy: -128.056 flat angles C4'-P-C4' energy: -114.981 flat angles P-C4'-P energy: -70.611 tors. eta vs tors. theta energy: -63.136 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 94 Temperature: 1.250000 Total energy: -830.024732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -830.024732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -830.024732 (E_RNA) where: Base-Base interactions energy: -399.964 where: short stacking energy: -222.305 Base-Backbone interact. energy: -2.696 local terms energy: -428.837294 where: bonds (distance) C4'-P energy: -120.784 bonds (distance) P-C4' energy: -110.910 flat angles C4'-P-C4' energy: -109.824 flat angles P-C4'-P energy: -55.960 tors. eta vs tors. theta energy: -31.360 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 1.472 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 94 Temperature: 1.300000 Total energy: -574.905674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -574.905674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -574.905674 (E_RNA) where: Base-Base interactions energy: -219.785 where: short stacking energy: -155.590 Base-Backbone interact. energy: -1.009 local terms energy: -354.111220 where: bonds (distance) C4'-P energy: -101.612 bonds (distance) P-C4' energy: -128.543 flat angles C4'-P-C4' energy: -96.093 flat angles P-C4'-P energy: -52.689 tors. eta vs tors. theta energy: 24.827 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 94 Temperature: 1.350000 Total energy: -512.975173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -512.975173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -512.975173 (E_RNA) where: Base-Base interactions energy: -158.891 where: short stacking energy: -142.965 Base-Backbone interact. energy: -1.678 local terms energy: -352.405766 where: bonds (distance) C4'-P energy: -117.160 bonds (distance) P-C4' energy: -107.476 flat angles C4'-P-C4' energy: -100.455 flat angles P-C4'-P energy: -48.914 tors. eta vs tors. theta energy: 21.600 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 95 Temperature: 0.900000 Total energy: -2093.399954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2093.399954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2093.399954 (E_RNA) where: Base-Base interactions energy: -1415.936 where: short stacking energy: -582.047 Base-Backbone interact. energy: -1.735 local terms energy: -675.728492 where: bonds (distance) C4'-P energy: -124.739 bonds (distance) P-C4' energy: -132.160 flat angles C4'-P-C4' energy: -152.438 flat angles P-C4'-P energy: -92.911 tors. eta vs tors. theta energy: -173.480 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 95 Temperature: 0.950000 Total energy: -2003.338009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2003.338009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2003.338009 (E_RNA) where: Base-Base interactions energy: -1313.715 where: short stacking energy: -539.921 Base-Backbone interact. energy: -1.281 local terms energy: -688.341999 where: bonds (distance) C4'-P energy: -125.237 bonds (distance) P-C4' energy: -145.137 flat angles C4'-P-C4' energy: -145.643 flat angles P-C4'-P energy: -106.140 tors. eta vs tors. theta energy: -166.185 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: 8 ===================================== Write number: 95 Temperature: 1.000000 Total energy: -1810.013846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1810.013846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1810.013846 (E_RNA) where: Base-Base interactions energy: -1202.378 where: short stacking energy: -490.037 Base-Backbone interact. energy: -1.267 local terms energy: -606.368096 where: bonds (distance) C4'-P energy: -117.927 bonds (distance) P-C4' energy: -127.317 flat angles C4'-P-C4' energy: -135.609 flat angles P-C4'-P energy: -86.314 tors. eta vs tors. theta energy: -139.202 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: 6 ===================================== Write number: 95 Temperature: 1.050000 Total energy: -1804.794554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1804.794554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1804.794554 (E_RNA) where: Base-Base interactions energy: -1211.273 where: short stacking energy: -515.394 Base-Backbone interact. energy: -1.350 local terms energy: -592.171769 where: bonds (distance) C4'-P energy: -131.187 bonds (distance) P-C4' energy: -106.074 flat angles C4'-P-C4' energy: -129.186 flat angles P-C4'-P energy: -88.777 tors. eta vs tors. theta energy: -136.948 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: 4 ===================================== Write number: 95 Temperature: 1.100000 Total energy: -1651.046841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1651.046841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1651.046841 (E_RNA) where: Base-Base interactions energy: -1089.567 where: short stacking energy: -468.472 Base-Backbone interact. energy: -1.920 local terms energy: -559.559357 where: bonds (distance) C4'-P energy: -110.461 bonds (distance) P-C4' energy: -114.302 flat angles C4'-P-C4' energy: -118.002 flat angles P-C4'-P energy: -81.101 tors. eta vs tors. theta energy: -135.693 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 95 Temperature: 1.150000 Total energy: -1389.616923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1389.616923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1389.616923 (E_RNA) where: Base-Base interactions energy: -877.649 where: short stacking energy: -406.349 Base-Backbone interact. energy: -0.367 local terms energy: -511.601704 where: bonds (distance) C4'-P energy: -108.716 bonds (distance) P-C4' energy: -116.377 flat angles C4'-P-C4' energy: -112.384 flat angles P-C4'-P energy: -78.047 tors. eta vs tors. theta energy: -96.078 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 95 Temperature: 1.200000 Total energy: -1208.337446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1208.337446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1208.337446 (E_RNA) where: Base-Base interactions energy: -731.145 where: short stacking energy: -346.392 Base-Backbone interact. energy: -1.186 local terms energy: -476.006319 where: bonds (distance) C4'-P energy: -109.595 bonds (distance) P-C4' energy: -115.077 flat angles C4'-P-C4' energy: -120.859 flat angles P-C4'-P energy: -67.521 tors. eta vs tors. theta energy: -62.955 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 95 Temperature: 1.250000 Total energy: -739.811014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -739.811014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -739.811014 (E_RNA) where: Base-Base interactions energy: -367.021 where: short stacking energy: -206.171 Base-Backbone interact. energy: -5.021 local terms energy: -367.769028 where: bonds (distance) C4'-P energy: -108.047 bonds (distance) P-C4' energy: -112.679 flat angles C4'-P-C4' energy: -101.262 flat angles P-C4'-P energy: -44.583 tors. eta vs tors. theta energy: -1.198 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: 9 ===================================== Write number: 95 Temperature: 1.300000 Total energy: -537.115403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -537.115403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -537.115403 (E_RNA) where: Base-Base interactions energy: -195.395 where: short stacking energy: -116.465 Base-Backbone interact. energy: 9.461 local terms energy: -351.180885 where: bonds (distance) C4'-P energy: -112.806 bonds (distance) P-C4' energy: -129.018 flat angles C4'-P-C4' energy: -97.386 flat angles P-C4'-P energy: -50.529 tors. eta vs tors. theta energy: 38.558 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 95 Temperature: 1.350000 Total energy: -505.239572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -505.239572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -505.239572 (E_RNA) where: Base-Base interactions energy: -140.752 where: short stacking energy: -112.999 Base-Backbone interact. energy: -2.673 local terms energy: -361.814552 where: bonds (distance) C4'-P energy: -111.693 bonds (distance) P-C4' energy: -116.452 flat angles C4'-P-C4' energy: -82.911 flat angles P-C4'-P energy: -60.780 tors. eta vs tors. theta energy: 10.022 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: 5 ===================================== Write number: 96 Temperature: 0.900000 Total energy: -2113.159635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2113.159635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2113.159635 (E_RNA) where: Base-Base interactions energy: -1408.184 where: short stacking energy: -582.646 Base-Backbone interact. energy: -1.225 local terms energy: -703.751339 where: bonds (distance) C4'-P energy: -144.362 bonds (distance) P-C4' energy: -133.422 flat angles C4'-P-C4' energy: -150.672 flat angles P-C4'-P energy: -99.357 tors. eta vs tors. theta energy: -175.938 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 96 Temperature: 0.950000 Total energy: -1999.668715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1999.668715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1999.668715 (E_RNA) where: Base-Base interactions energy: -1359.463 where: short stacking energy: -583.437 Base-Backbone interact. energy: -3.129 local terms energy: -637.077589 where: bonds (distance) C4'-P energy: -101.166 bonds (distance) P-C4' energy: -128.152 flat angles C4'-P-C4' energy: -142.365 flat angles P-C4'-P energy: -101.175 tors. eta vs tors. theta energy: -164.220 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 96 Temperature: 1.000000 Total energy: -1884.093654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1884.093654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1884.093654 (E_RNA) where: Base-Base interactions energy: -1255.484 where: short stacking energy: -530.240 Base-Backbone interact. energy: -2.781 local terms energy: -625.828726 where: bonds (distance) C4'-P energy: -119.095 bonds (distance) P-C4' energy: -112.527 flat angles C4'-P-C4' energy: -140.614 flat angles P-C4'-P energy: -98.275 tors. eta vs tors. theta energy: -155.317 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: 8 ===================================== Write number: 96 Temperature: 1.050000 Total energy: -1757.166498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1757.166498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1757.166498 (E_RNA) where: Base-Base interactions energy: -1186.478 where: short stacking energy: -481.806 Base-Backbone interact. energy: 1.599 local terms energy: -572.287388 where: bonds (distance) C4'-P energy: -123.662 bonds (distance) P-C4' energy: -99.831 flat angles C4'-P-C4' energy: -125.589 flat angles P-C4'-P energy: -83.984 tors. eta vs tors. theta energy: -139.221 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: 4 ===================================== Write number: 96 Temperature: 1.100000 Total energy: -1659.833947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1659.833947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1659.833947 (E_RNA) where: Base-Base interactions energy: -1075.743 where: short stacking energy: -485.505 Base-Backbone interact. energy: -2.484 local terms energy: -581.606150 where: bonds (distance) C4'-P energy: -118.484 bonds (distance) P-C4' energy: -129.294 flat angles C4'-P-C4' energy: -137.556 flat angles P-C4'-P energy: -75.160 tors. eta vs tors. theta energy: -121.112 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 96 Temperature: 1.150000 Total energy: -1347.541759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1347.541759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1347.541759 (E_RNA) where: Base-Base interactions energy: -850.760 where: short stacking energy: -393.080 Base-Backbone interact. energy: -2.119 local terms energy: -494.662739 where: bonds (distance) C4'-P energy: -98.669 bonds (distance) P-C4' energy: -127.442 flat angles C4'-P-C4' energy: -121.809 flat angles P-C4'-P energy: -68.964 tors. eta vs tors. theta energy: -77.778 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: 96 Temperature: 1.200000 Total energy: -1158.637384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1158.637384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1158.637384 (E_RNA) where: Base-Base interactions energy: -701.592 where: short stacking energy: -304.958 Base-Backbone interact. energy: 2.834 local terms energy: -459.878884 where: bonds (distance) C4'-P energy: -128.232 bonds (distance) P-C4' energy: -110.279 flat angles C4'-P-C4' energy: -108.152 flat angles P-C4'-P energy: -65.037 tors. eta vs tors. theta energy: -48.179 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 96 Temperature: 1.250000 Total energy: -766.228409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -766.228409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -766.228409 (E_RNA) where: Base-Base interactions energy: -387.227 where: short stacking energy: -208.831 Base-Backbone interact. energy: 1.153 local terms energy: -380.153509 where: bonds (distance) C4'-P energy: -106.570 bonds (distance) P-C4' energy: -121.128 flat angles C4'-P-C4' energy: -86.518 flat angles P-C4'-P energy: -57.914 tors. eta vs tors. theta energy: -8.023 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 96 Temperature: 1.300000 Total energy: -551.819105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -551.819105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -551.819105 (E_RNA) where: Base-Base interactions energy: -197.547 where: short stacking energy: -158.012 Base-Backbone interact. energy: 2.598 local terms energy: -356.870087 where: bonds (distance) C4'-P energy: -95.102 bonds (distance) P-C4' energy: -128.877 flat angles C4'-P-C4' energy: -85.322 flat angles P-C4'-P energy: -55.023 tors. eta vs tors. theta energy: 7.455 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 96 Temperature: 1.350000 Total energy: -503.537930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -503.537930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -503.537930 (E_RNA) where: Base-Base interactions energy: -145.162 where: short stacking energy: -106.334 Base-Backbone interact. energy: 0.058 local terms energy: -358.434055 where: bonds (distance) C4'-P energy: -100.994 bonds (distance) P-C4' energy: -127.543 flat angles C4'-P-C4' energy: -95.316 flat angles P-C4'-P energy: -64.416 tors. eta vs tors. theta energy: 29.835 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: 5 ===================================== Write number: 97 Temperature: 0.900000 Total energy: -2127.521186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2127.521186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2127.521186 (E_RNA) where: Base-Base interactions energy: -1451.626 where: short stacking energy: -586.119 Base-Backbone interact. energy: -5.146 local terms energy: -670.749316 where: bonds (distance) C4'-P energy: -124.039 bonds (distance) P-C4' energy: -127.657 flat angles C4'-P-C4' energy: -146.850 flat angles P-C4'-P energy: -99.634 tors. eta vs tors. theta energy: -172.569 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 97 Temperature: 0.950000 Total energy: -1998.924697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1998.924697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1998.924697 (E_RNA) where: Base-Base interactions energy: -1307.586 where: short stacking energy: -544.253 Base-Backbone interact. energy: -1.945 local terms energy: -689.394079 where: bonds (distance) C4'-P energy: -144.568 bonds (distance) P-C4' energy: -138.165 flat angles C4'-P-C4' energy: -159.527 flat angles P-C4'-P energy: -86.620 tors. eta vs tors. theta energy: -160.514 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 97 Temperature: 1.000000 Total energy: -1884.279529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1884.279529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1884.279529 (E_RNA) where: Base-Base interactions energy: -1231.649 where: short stacking energy: -530.057 Base-Backbone interact. energy: -2.170 local terms energy: -650.460645 where: bonds (distance) C4'-P energy: -119.691 bonds (distance) P-C4' energy: -133.959 flat angles C4'-P-C4' energy: -144.494 flat angles P-C4'-P energy: -94.124 tors. eta vs tors. theta energy: -158.193 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 97 Temperature: 1.050000 Total energy: -1744.510752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1744.510752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1744.510752 (E_RNA) where: Base-Base interactions energy: -1116.522 where: short stacking energy: -504.846 Base-Backbone interact. energy: -2.687 local terms energy: -625.302159 where: bonds (distance) C4'-P energy: -106.577 bonds (distance) P-C4' energy: -117.814 flat angles C4'-P-C4' energy: -150.977 flat angles P-C4'-P energy: -92.953 tors. eta vs tors. theta energy: -156.982 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 97 Temperature: 1.100000 Total energy: -1689.957810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1689.957810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1689.957810 (E_RNA) where: Base-Base interactions energy: -1109.687 where: short stacking energy: -457.581 Base-Backbone interact. energy: -2.481 local terms energy: -577.790440 where: bonds (distance) C4'-P energy: -115.591 bonds (distance) P-C4' energy: -102.452 flat angles C4'-P-C4' energy: -132.376 flat angles P-C4'-P energy: -87.151 tors. eta vs tors. theta energy: -140.220 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: 2 ===================================== Write number: 97 Temperature: 1.150000 Total energy: -1353.014654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1353.014654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1353.014654 (E_RNA) where: Base-Base interactions energy: -832.994 where: short stacking energy: -373.211 Base-Backbone interact. energy: -0.841 local terms energy: -519.315053 where: bonds (distance) C4'-P energy: -115.922 bonds (distance) P-C4' energy: -130.738 flat angles C4'-P-C4' energy: -112.817 flat angles P-C4'-P energy: -80.439 tors. eta vs tors. theta energy: -79.398 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.135 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 97 Temperature: 1.200000 Total energy: -1109.372413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1109.372413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1109.372413 (E_RNA) where: Base-Base interactions energy: -682.551 where: short stacking energy: -296.791 Base-Backbone interact. energy: 0.990 local terms energy: -427.811693 where: bonds (distance) C4'-P energy: -111.704 bonds (distance) P-C4' energy: -108.144 flat angles C4'-P-C4' energy: -110.405 flat angles P-C4'-P energy: -67.988 tors. eta vs tors. theta energy: -29.570 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 97 Temperature: 1.250000 Total energy: -706.953449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -706.953449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -706.953449 (E_RNA) where: Base-Base interactions energy: -318.797 where: short stacking energy: -204.922 Base-Backbone interact. energy: -1.634 local terms energy: -386.521994 where: bonds (distance) C4'-P energy: -103.711 bonds (distance) P-C4' energy: -125.082 flat angles C4'-P-C4' energy: -83.156 flat angles P-C4'-P energy: -64.867 tors. eta vs tors. theta energy: -9.706 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 97 Temperature: 1.300000 Total energy: -581.977716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -581.977716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -581.977716 (E_RNA) where: Base-Base interactions energy: -222.393 where: short stacking energy: -139.239 Base-Backbone interact. energy: -0.056 local terms energy: -359.529349 where: bonds (distance) C4'-P energy: -112.442 bonds (distance) P-C4' energy: -117.724 flat angles C4'-P-C4' energy: -98.214 flat angles P-C4'-P energy: -42.650 tors. eta vs tors. theta energy: 11.501 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: 9 ===================================== Write number: 97 Temperature: 1.350000 Total energy: -486.097017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -486.097017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -486.097017 (E_RNA) where: Base-Base interactions energy: -170.234 where: short stacking energy: -127.677 Base-Backbone interact. energy: 0.826 local terms energy: -316.688579 where: bonds (distance) C4'-P energy: -98.537 bonds (distance) P-C4' energy: -107.101 flat angles C4'-P-C4' energy: -102.770 flat angles P-C4'-P energy: -50.118 tors. eta vs tors. theta energy: 41.837 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 98 Temperature: 0.900000 Total energy: -2110.124208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2110.124208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2110.124208 (E_RNA) where: Base-Base interactions energy: -1420.250 where: short stacking energy: -567.636 Base-Backbone interact. energy: -2.998 local terms energy: -686.876187 where: bonds (distance) C4'-P energy: -137.199 bonds (distance) P-C4' energy: -136.382 flat angles C4'-P-C4' energy: -136.167 flat angles P-C4'-P energy: -104.247 tors. eta vs tors. theta energy: -172.880 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 98 Temperature: 0.950000 Total energy: -1997.321685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1997.321685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1997.321685 (E_RNA) where: Base-Base interactions energy: -1344.008 where: short stacking energy: -559.849 Base-Backbone interact. energy: -2.963 local terms energy: -650.351118 where: bonds (distance) C4'-P energy: -119.392 bonds (distance) P-C4' energy: -134.647 flat angles C4'-P-C4' energy: -147.533 flat angles P-C4'-P energy: -87.095 tors. eta vs tors. theta energy: -161.684 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 98 Temperature: 1.000000 Total energy: -1869.858195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1869.858195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1869.858195 (E_RNA) where: Base-Base interactions energy: -1219.527 where: short stacking energy: -545.766 Base-Backbone interact. energy: -1.607 local terms energy: -648.723677 where: bonds (distance) C4'-P energy: -137.638 bonds (distance) P-C4' energy: -125.905 flat angles C4'-P-C4' energy: -133.248 flat angles P-C4'-P energy: -93.958 tors. eta vs tors. theta energy: -157.974 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: 4 ===================================== Write number: 98 Temperature: 1.050000 Total energy: -1761.323513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1761.323513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1761.323513 (E_RNA) where: Base-Base interactions energy: -1143.070 where: short stacking energy: -521.271 Base-Backbone interact. energy: -0.807 local terms energy: -617.445962 where: bonds (distance) C4'-P energy: -142.792 bonds (distance) P-C4' energy: -124.725 flat angles C4'-P-C4' energy: -141.677 flat angles P-C4'-P energy: -67.240 tors. eta vs tors. theta energy: -141.012 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: 5, replica: 8 ===================================== Write number: 98 Temperature: 1.100000 Total energy: -1643.475672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1643.475672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1643.475672 (E_RNA) where: Base-Base interactions energy: -1123.076 where: short stacking energy: -449.060 Base-Backbone interact. energy: 7.959 local terms energy: -528.358093 where: bonds (distance) C4'-P energy: -102.523 bonds (distance) P-C4' energy: -115.736 flat angles C4'-P-C4' energy: -124.613 flat angles P-C4'-P energy: -71.521 tors. eta vs tors. theta energy: -113.966 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 98 Temperature: 1.150000 Total energy: -1345.836003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1345.836003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1345.836003 (E_RNA) where: Base-Base interactions energy: -838.853 where: short stacking energy: -380.169 Base-Backbone interact. energy: 1.212 local terms energy: -508.265118 where: bonds (distance) C4'-P energy: -107.843 bonds (distance) P-C4' energy: -117.394 flat angles C4'-P-C4' energy: -129.642 flat angles P-C4'-P energy: -61.886 tors. eta vs tors. theta energy: -91.501 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.071 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 98 Temperature: 1.200000 Total energy: -1155.795988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1155.795988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1155.795988 (E_RNA) where: Base-Base interactions energy: -677.296 where: short stacking energy: -288.548 Base-Backbone interact. energy: -0.668 local terms energy: -477.831899 where: bonds (distance) C4'-P energy: -122.515 bonds (distance) P-C4' energy: -104.424 flat angles C4'-P-C4' energy: -110.643 flat angles P-C4'-P energy: -86.014 tors. eta vs tors. theta energy: -54.236 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: 1 ===================================== Write number: 98 Temperature: 1.250000 Total energy: -717.453716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -717.453716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -717.453716 (E_RNA) where: Base-Base interactions energy: -351.456 where: short stacking energy: -191.091 Base-Backbone interact. energy: 2.437 local terms energy: -368.435391 where: bonds (distance) C4'-P energy: -100.548 bonds (distance) P-C4' energy: -115.843 flat angles C4'-P-C4' energy: -101.064 flat angles P-C4'-P energy: -53.847 tors. eta vs tors. theta energy: 2.866 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: 3 ===================================== Write number: 98 Temperature: 1.300000 Total energy: -563.262808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -563.262808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -563.262808 (E_RNA) where: Base-Base interactions energy: -208.012 where: short stacking energy: -148.184 Base-Backbone interact. energy: -0.667 local terms energy: -354.583733 where: bonds (distance) C4'-P energy: -100.509 bonds (distance) P-C4' energy: -110.523 flat angles C4'-P-C4' energy: -98.464 flat angles P-C4'-P energy: -52.153 tors. eta vs tors. theta energy: 7.066 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 98 Temperature: 1.350000 Total energy: -487.686943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -487.686943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -487.686943 (E_RNA) where: Base-Base interactions energy: -168.087 where: short stacking energy: -131.695 Base-Backbone interact. energy: -0.065 local terms energy: -319.535472 where: bonds (distance) C4'-P energy: -120.599 bonds (distance) P-C4' energy: -120.529 flat angles C4'-P-C4' energy: -69.174 flat angles P-C4'-P energy: -40.000 tors. eta vs tors. theta energy: 30.766 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 99 Temperature: 0.900000 Total energy: -2136.835948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2136.835948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2136.835948 (E_RNA) where: Base-Base interactions energy: -1461.643 where: short stacking energy: -615.797 Base-Backbone interact. energy: -3.372 local terms energy: -671.820631 where: bonds (distance) C4'-P energy: -129.774 bonds (distance) P-C4' energy: -133.519 flat angles C4'-P-C4' energy: -137.071 flat angles P-C4'-P energy: -91.012 tors. eta vs tors. theta energy: -180.444 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 99 Temperature: 0.950000 Total energy: -1999.683383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1999.683383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1999.683383 (E_RNA) where: Base-Base interactions energy: -1340.851 where: short stacking energy: -532.838 Base-Backbone interact. energy: -2.710 local terms energy: -656.123175 where: bonds (distance) C4'-P energy: -127.011 bonds (distance) P-C4' energy: -132.985 flat angles C4'-P-C4' energy: -148.050 flat angles P-C4'-P energy: -88.161 tors. eta vs tors. theta energy: -159.915 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: 99 Temperature: 1.000000 Total energy: -1894.953429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1894.953429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1894.953429 (E_RNA) where: Base-Base interactions energy: -1269.320 where: short stacking energy: -550.019 Base-Backbone interact. energy: 0.075 local terms energy: -625.708105 where: bonds (distance) C4'-P energy: -112.492 bonds (distance) P-C4' energy: -118.879 flat angles C4'-P-C4' energy: -140.066 flat angles P-C4'-P energy: -90.597 tors. eta vs tors. theta energy: -163.675 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: 4 ===================================== Write number: 99 Temperature: 1.050000 Total energy: -1707.165730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1707.165730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1707.165730 (E_RNA) where: Base-Base interactions energy: -1110.459 where: short stacking energy: -506.228 Base-Backbone interact. energy: -2.937 local terms energy: -593.769502 where: bonds (distance) C4'-P energy: -123.877 bonds (distance) P-C4' energy: -125.132 flat angles C4'-P-C4' energy: -125.370 flat angles P-C4'-P energy: -85.503 tors. eta vs tors. theta energy: -133.887 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: 99 Temperature: 1.100000 Total energy: -1575.300140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1575.300140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1575.300140 (E_RNA) where: Base-Base interactions energy: -1015.041 where: short stacking energy: -397.686 Base-Backbone interact. energy: -2.446 local terms energy: -557.814040 where: bonds (distance) C4'-P energy: -116.572 bonds (distance) P-C4' energy: -132.985 flat angles C4'-P-C4' energy: -121.825 flat angles P-C4'-P energy: -68.540 tors. eta vs tors. theta energy: -117.891 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 99 Temperature: 1.150000 Total energy: -1284.244725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1284.244725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1284.244725 (E_RNA) where: Base-Base interactions energy: -789.658 where: short stacking energy: -355.245 Base-Backbone interact. energy: -1.773 local terms energy: -492.813983 where: bonds (distance) C4'-P energy: -113.710 bonds (distance) P-C4' energy: -133.241 flat angles C4'-P-C4' energy: -100.240 flat angles P-C4'-P energy: -81.489 tors. eta vs tors. theta energy: -64.134 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 99 Temperature: 1.200000 Total energy: -1104.127223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1104.127223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1104.127223 (E_RNA) where: Base-Base interactions energy: -650.940 where: short stacking energy: -301.704 Base-Backbone interact. energy: -1.443 local terms energy: -451.744459 where: bonds (distance) C4'-P energy: -121.186 bonds (distance) P-C4' energy: -106.077 flat angles C4'-P-C4' energy: -104.948 flat angles P-C4'-P energy: -77.534 tors. eta vs tors. theta energy: -42.000 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 99 Temperature: 1.250000 Total energy: -741.205960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -741.205960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -741.205960 (E_RNA) where: Base-Base interactions energy: -330.906 where: short stacking energy: -192.448 Base-Backbone interact. energy: 0.409 local terms energy: -410.709709 where: bonds (distance) C4'-P energy: -111.434 bonds (distance) P-C4' energy: -128.841 flat angles C4'-P-C4' energy: -97.904 flat angles P-C4'-P energy: -63.863 tors. eta vs tors. theta energy: -8.668 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 99 Temperature: 1.300000 Total energy: -542.886153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -542.886153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -542.886153 (E_RNA) where: Base-Base interactions energy: -219.282 where: short stacking energy: -135.043 Base-Backbone interact. energy: 6.677 local terms energy: -330.281116 where: bonds (distance) C4'-P energy: -110.634 bonds (distance) P-C4' energy: -118.479 flat angles C4'-P-C4' energy: -89.613 flat angles P-C4'-P energy: -40.559 tors. eta vs tors. theta energy: 29.004 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: 9 ===================================== Write number: 99 Temperature: 1.350000 Total energy: -509.360447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -509.360447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -509.360447 (E_RNA) where: Base-Base interactions energy: -229.215 where: short stacking energy: -170.742 Base-Backbone interact. energy: -3.379 local terms energy: -276.766295 where: bonds (distance) C4'-P energy: -88.021 bonds (distance) P-C4' energy: -99.177 flat angles C4'-P-C4' energy: -73.543 flat angles P-C4'-P energy: -43.166 tors. eta vs tors. theta energy: 27.142 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 100 Temperature: 0.900000 Total energy: -2107.183499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2107.183499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2107.183499 (E_RNA) where: Base-Base interactions energy: -1426.965 where: short stacking energy: -611.792 Base-Backbone interact. energy: -2.169 local terms energy: -678.049128 where: bonds (distance) C4'-P energy: -123.522 bonds (distance) P-C4' energy: -128.720 flat angles C4'-P-C4' energy: -152.319 flat angles P-C4'-P energy: -105.376 tors. eta vs tors. theta energy: -168.112 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 100 Temperature: 0.950000 Total energy: -2047.516623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2047.516623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2047.516623 (E_RNA) where: Base-Base interactions energy: -1373.710 where: short stacking energy: -576.214 Base-Backbone interact. energy: -2.732 local terms energy: -671.074859 where: bonds (distance) C4'-P energy: -118.882 bonds (distance) P-C4' energy: -144.231 flat angles C4'-P-C4' energy: -144.619 flat angles P-C4'-P energy: -80.503 tors. eta vs tors. theta energy: -182.840 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: 6 ===================================== Write number: 100 Temperature: 1.000000 Total energy: -1913.588204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1913.588204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1913.588204 (E_RNA) where: Base-Base interactions energy: -1257.162 where: short stacking energy: -537.077 Base-Backbone interact. energy: -1.136 local terms energy: -655.290405 where: bonds (distance) C4'-P energy: -127.908 bonds (distance) P-C4' energy: -128.800 flat angles C4'-P-C4' energy: -136.555 flat angles P-C4'-P energy: -90.638 tors. eta vs tors. theta energy: -171.389 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 100 Temperature: 1.050000 Total energy: -1802.512525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1802.512525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1802.512525 (E_RNA) where: Base-Base interactions energy: -1142.528 where: short stacking energy: -516.448 Base-Backbone interact. energy: -1.635 local terms energy: -658.349628 where: bonds (distance) C4'-P energy: -129.446 bonds (distance) P-C4' energy: -132.074 flat angles C4'-P-C4' energy: -147.196 flat angles P-C4'-P energy: -95.780 tors. eta vs tors. theta energy: -153.853 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: 8 ===================================== Write number: 100 Temperature: 1.100000 Total energy: -1608.077996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1608.077996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1608.077996 (E_RNA) where: Base-Base interactions energy: -1060.551 where: short stacking energy: -438.233 Base-Backbone interact. energy: 5.656 local terms energy: -553.183222 where: bonds (distance) C4'-P energy: -124.900 bonds (distance) P-C4' energy: -117.045 flat angles C4'-P-C4' energy: -122.971 flat angles P-C4'-P energy: -78.859 tors. eta vs tors. theta energy: -109.408 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: 2 ===================================== Write number: 100 Temperature: 1.150000 Total energy: -1315.417525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1315.417525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1315.417525 (E_RNA) where: Base-Base interactions energy: -832.524 where: short stacking energy: -380.769 Base-Backbone interact. energy: -2.086 local terms energy: -480.806983 where: bonds (distance) C4'-P energy: -107.326 bonds (distance) P-C4' energy: -116.646 flat angles C4'-P-C4' energy: -103.761 flat angles P-C4'-P energy: -85.285 tors. eta vs tors. theta energy: -67.789 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: 7, replica: 7 ===================================== Write number: 100 Temperature: 1.200000 Total energy: -1063.628165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1063.628165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1063.628165 (E_RNA) where: Base-Base interactions energy: -631.320 where: short stacking energy: -304.547 Base-Backbone interact. energy: -0.900 local terms energy: -431.408588 where: bonds (distance) C4'-P energy: -116.305 bonds (distance) P-C4' energy: -99.904 flat angles C4'-P-C4' energy: -102.132 flat angles P-C4'-P energy: -60.082 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: 8, replica: 1 ===================================== Write number: 100 Temperature: 1.250000 Total energy: -757.151948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -757.151948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -757.151948 (E_RNA) where: Base-Base interactions energy: -391.527 where: short stacking energy: -215.228 Base-Backbone interact. energy: 1.985 local terms energy: -367.609178 where: bonds (distance) C4'-P energy: -87.877 bonds (distance) P-C4' energy: -106.427 flat angles C4'-P-C4' energy: -112.988 flat angles P-C4'-P energy: -51.308 tors. eta vs tors. theta energy: -9.009 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 100 Temperature: 1.300000 Total energy: -522.552802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -522.552802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -522.552802 (E_RNA) where: Base-Base interactions energy: -183.939 where: short stacking energy: -152.562 Base-Backbone interact. energy: -1.275 local terms energy: -337.339553 where: bonds (distance) C4'-P energy: -99.075 bonds (distance) P-C4' energy: -105.863 flat angles C4'-P-C4' energy: -91.191 flat angles P-C4'-P energy: -67.957 tors. eta vs tors. theta energy: 26.747 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 100 Temperature: 1.350000 Total energy: -484.756721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -484.756721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -484.756721 (E_RNA) where: Base-Base interactions energy: -148.045 where: short stacking energy: -107.006 Base-Backbone interact. energy: -1.960 local terms energy: -334.752101 where: bonds (distance) C4'-P energy: -104.749 bonds (distance) P-C4' energy: -117.681 flat angles C4'-P-C4' energy: -86.785 flat angles P-C4'-P energy: -59.091 tors. eta vs tors. theta energy: 33.554 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 101 Temperature: 0.900000 Total energy: -2125.381328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2125.381328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2125.381328 (E_RNA) where: Base-Base interactions energy: -1425.986 where: short stacking energy: -609.541 Base-Backbone interact. energy: -0.165 local terms energy: -699.229982 where: bonds (distance) C4'-P energy: -132.951 bonds (distance) P-C4' energy: -126.972 flat angles C4'-P-C4' energy: -164.176 flat angles P-C4'-P energy: -93.536 tors. eta vs tors. theta energy: -181.595 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 101 Temperature: 0.950000 Total energy: -2070.999870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2070.999870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2070.999870 (E_RNA) where: Base-Base interactions energy: -1393.317 where: short stacking energy: -560.921 Base-Backbone interact. energy: -0.409 local terms energy: -677.274379 where: bonds (distance) C4'-P energy: -123.029 bonds (distance) P-C4' energy: -140.688 flat angles C4'-P-C4' energy: -140.349 flat angles P-C4'-P energy: -97.435 tors. eta vs tors. theta energy: -175.774 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 101 Temperature: 1.000000 Total energy: -1944.187937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1944.187937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1944.187937 (E_RNA) where: Base-Base interactions energy: -1285.689 where: short stacking energy: -538.942 Base-Backbone interact. energy: -1.450 local terms energy: -657.048264 where: bonds (distance) C4'-P energy: -121.119 bonds (distance) P-C4' energy: -119.184 flat angles C4'-P-C4' energy: -150.706 flat angles P-C4'-P energy: -97.616 tors. eta vs tors. theta energy: -168.423 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 101 Temperature: 1.050000 Total energy: -1762.089003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1762.089003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1762.089003 (E_RNA) where: Base-Base interactions energy: -1143.108 where: short stacking energy: -509.255 Base-Backbone interact. energy: 1.295 local terms energy: -620.275934 where: bonds (distance) C4'-P energy: -131.681 bonds (distance) P-C4' energy: -126.555 flat angles C4'-P-C4' energy: -138.439 flat angles P-C4'-P energy: -78.215 tors. eta vs tors. theta energy: -145.386 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 101 Temperature: 1.100000 Total energy: -1509.542546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1509.542546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1509.542546 (E_RNA) where: Base-Base interactions energy: -975.899 where: short stacking energy: -425.608 Base-Backbone interact. energy: -2.507 local terms energy: -531.136773 where: bonds (distance) C4'-P energy: -107.588 bonds (distance) P-C4' energy: -108.490 flat angles C4'-P-C4' energy: -131.687 flat angles P-C4'-P energy: -72.959 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: 6, replica: 2 ===================================== Write number: 101 Temperature: 1.150000 Total energy: -1380.787965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1380.787965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1380.787965 (E_RNA) where: Base-Base interactions energy: -873.065 where: short stacking energy: -390.272 Base-Backbone interact. energy: 4.112 local terms energy: -511.834713 where: bonds (distance) C4'-P energy: -108.648 bonds (distance) P-C4' energy: -106.774 flat angles C4'-P-C4' energy: -132.146 flat angles P-C4'-P energy: -72.339 tors. eta vs tors. theta energy: -91.928 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: 101 Temperature: 1.200000 Total energy: -1121.447534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1121.447534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1121.447534 (E_RNA) where: Base-Base interactions energy: -651.426 where: short stacking energy: -299.318 Base-Backbone interact. energy: -4.286 local terms energy: -465.735997 where: bonds (distance) C4'-P energy: -116.138 bonds (distance) P-C4' energy: -125.695 flat angles C4'-P-C4' energy: -106.312 flat angles P-C4'-P energy: -61.542 tors. eta vs tors. theta energy: -56.049 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 101 Temperature: 1.250000 Total energy: -761.515565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -761.515565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -761.515565 (E_RNA) where: Base-Base interactions energy: -379.688 where: short stacking energy: -197.264 Base-Backbone interact. energy: 1.227 local terms energy: -383.054805 where: bonds (distance) C4'-P energy: -115.245 bonds (distance) P-C4' energy: -102.367 flat angles C4'-P-C4' energy: -99.466 flat angles P-C4'-P energy: -51.580 tors. eta vs tors. theta energy: -14.397 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 101 Temperature: 1.300000 Total energy: -608.972778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -608.972778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -608.972778 (E_RNA) where: Base-Base interactions energy: -243.064 where: short stacking energy: -157.422 Base-Backbone interact. energy: 2.127 local terms energy: -368.035912 where: bonds (distance) C4'-P energy: -114.219 bonds (distance) P-C4' energy: -111.721 flat angles C4'-P-C4' energy: -91.471 flat angles P-C4'-P energy: -70.334 tors. eta vs tors. theta energy: 19.709 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 101 Temperature: 1.350000 Total energy: -482.746087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -482.746087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -482.746087 (E_RNA) where: Base-Base interactions energy: -182.690 where: short stacking energy: -121.513 Base-Backbone interact. energy: 1.557 local terms energy: -301.612675 where: bonds (distance) C4'-P energy: -121.934 bonds (distance) P-C4' energy: -95.353 flat angles C4'-P-C4' energy: -50.933 flat angles P-C4'-P energy: -61.755 tors. eta vs tors. theta energy: 28.362 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 102 Temperature: 0.900000 Total energy: -2127.624537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2127.624537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2127.624537 (E_RNA) where: Base-Base interactions energy: -1425.507 where: short stacking energy: -606.433 Base-Backbone interact. energy: -1.136 local terms energy: -700.981889 where: bonds (distance) C4'-P energy: -132.398 bonds (distance) P-C4' energy: -133.657 flat angles C4'-P-C4' energy: -146.500 flat angles P-C4'-P energy: -106.311 tors. eta vs tors. theta energy: -182.116 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: 102 Temperature: 0.950000 Total energy: -2040.028846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2040.028846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2040.028846 (E_RNA) where: Base-Base interactions energy: -1369.978 where: short stacking energy: -564.677 Base-Backbone interact. energy: -2.447 local terms energy: -667.604058 where: bonds (distance) C4'-P energy: -121.133 bonds (distance) P-C4' energy: -132.847 flat angles C4'-P-C4' energy: -147.752 flat angles P-C4'-P energy: -93.076 tors. eta vs tors. theta energy: -172.797 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: 102 Temperature: 1.000000 Total energy: -1968.860802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1968.860802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1968.860802 (E_RNA) where: Base-Base interactions energy: -1309.593 where: short stacking energy: -573.313 Base-Backbone interact. energy: 0.045 local terms energy: -659.312698 where: bonds (distance) C4'-P energy: -114.273 bonds (distance) P-C4' energy: -135.020 flat angles C4'-P-C4' energy: -147.233 flat angles P-C4'-P energy: -96.574 tors. eta vs tors. theta energy: -166.212 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 102 Temperature: 1.050000 Total energy: -1732.338591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1732.338591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1732.338591 (E_RNA) where: Base-Base interactions energy: -1117.367 where: short stacking energy: -478.035 Base-Backbone interact. energy: -0.199 local terms energy: -614.773037 where: bonds (distance) C4'-P energy: -123.863 bonds (distance) P-C4' energy: -118.390 flat angles C4'-P-C4' energy: -158.107 flat angles P-C4'-P energy: -80.793 tors. eta vs tors. theta energy: -133.620 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: 8 ===================================== Write number: 102 Temperature: 1.100000 Total energy: -1585.168679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1585.168679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1585.168679 (E_RNA) where: Base-Base interactions energy: -1025.053 where: short stacking energy: -422.306 Base-Backbone interact. energy: 3.528 local terms energy: -563.644396 where: bonds (distance) C4'-P energy: -111.403 bonds (distance) P-C4' energy: -119.437 flat angles C4'-P-C4' energy: -142.414 flat angles P-C4'-P energy: -69.310 tors. eta vs tors. theta energy: -121.080 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 102 Temperature: 1.150000 Total energy: -1377.054560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1377.054560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1377.054560 (E_RNA) where: Base-Base interactions energy: -875.215 where: short stacking energy: -401.549 Base-Backbone interact. energy: 2.363 local terms energy: -504.202552 where: bonds (distance) C4'-P energy: -115.153 bonds (distance) P-C4' energy: -122.217 flat angles C4'-P-C4' energy: -116.930 flat angles P-C4'-P energy: -64.414 tors. eta vs tors. theta energy: -85.489 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 102 Temperature: 1.200000 Total energy: -1038.143651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1038.143651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1038.143651 (E_RNA) where: Base-Base interactions energy: -564.066 where: short stacking energy: -297.181 Base-Backbone interact. energy: -4.355 local terms energy: -469.722523 where: bonds (distance) C4'-P energy: -132.983 bonds (distance) P-C4' energy: -111.752 flat angles C4'-P-C4' energy: -101.443 flat angles P-C4'-P energy: -74.671 tors. eta vs tors. theta energy: -48.873 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 102 Temperature: 1.250000 Total energy: -815.141849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -815.141849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -815.141849 (E_RNA) where: Base-Base interactions energy: -416.992 where: short stacking energy: -222.161 Base-Backbone interact. energy: 3.311 local terms energy: -401.461032 where: bonds (distance) C4'-P energy: -117.613 bonds (distance) P-C4' energy: -121.087 flat angles C4'-P-C4' energy: -100.219 flat angles P-C4'-P energy: -46.918 tors. eta vs tors. theta energy: -15.624 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: 9 ===================================== Write number: 102 Temperature: 1.300000 Total energy: -547.328162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -547.328162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -547.328162 (E_RNA) where: Base-Base interactions energy: -214.317 where: short stacking energy: -177.377 Base-Backbone interact. energy: 2.537 local terms energy: -335.548552 where: bonds (distance) C4'-P energy: -99.282 bonds (distance) P-C4' energy: -123.538 flat angles C4'-P-C4' energy: -95.250 flat angles P-C4'-P energy: -35.833 tors. eta vs tors. theta energy: 18.354 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 102 Temperature: 1.350000 Total energy: -528.217054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -528.217054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -528.217054 (E_RNA) where: Base-Base interactions energy: -218.140 where: short stacking energy: -135.474 Base-Backbone interact. energy: -4.501 local terms energy: -305.575920 where: bonds (distance) C4'-P energy: -100.827 bonds (distance) P-C4' energy: -119.700 flat angles C4'-P-C4' energy: -84.253 flat angles P-C4'-P energy: -35.826 tors. eta vs tors. theta energy: 35.030 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: 5 ===================================== Write number: 103 Temperature: 0.900000 Total energy: -2110.401427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2110.401427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2110.401427 (E_RNA) where: Base-Base interactions energy: -1421.660 where: short stacking energy: -600.407 Base-Backbone interact. energy: -2.302 local terms energy: -686.439953 where: bonds (distance) C4'-P energy: -142.622 bonds (distance) P-C4' energy: -116.536 flat angles C4'-P-C4' energy: -141.901 flat angles P-C4'-P energy: -104.067 tors. eta vs tors. theta energy: -181.314 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 103 Temperature: 0.950000 Total energy: -2046.111549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2046.111549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2046.111549 (E_RNA) where: Base-Base interactions energy: -1351.249 where: short stacking energy: -540.480 Base-Backbone interact. energy: -3.179 local terms energy: -691.684332 where: bonds (distance) C4'-P energy: -127.602 bonds (distance) P-C4' energy: -135.257 flat angles C4'-P-C4' energy: -155.070 flat angles P-C4'-P energy: -92.945 tors. eta vs tors. theta energy: -180.810 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 103 Temperature: 1.000000 Total energy: -1983.868178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1983.868178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1983.868178 (E_RNA) where: Base-Base interactions energy: -1333.802 where: short stacking energy: -578.191 Base-Backbone interact. energy: 0.114 local terms energy: -650.180088 where: bonds (distance) C4'-P energy: -138.033 bonds (distance) P-C4' energy: -106.232 flat angles C4'-P-C4' energy: -147.063 flat angles P-C4'-P energy: -84.816 tors. eta vs tors. theta energy: -174.036 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 103 Temperature: 1.050000 Total energy: -1768.462215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1768.462215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1768.462215 (E_RNA) where: Base-Base interactions energy: -1148.653 where: short stacking energy: -498.206 Base-Backbone interact. energy: -2.921 local terms energy: -616.887991 where: bonds (distance) C4'-P energy: -107.919 bonds (distance) P-C4' energy: -126.783 flat angles C4'-P-C4' energy: -140.656 flat angles P-C4'-P energy: -96.695 tors. eta vs tors. theta energy: -144.835 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 103 Temperature: 1.100000 Total energy: -1507.725847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1507.725847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1507.725847 (E_RNA) where: Base-Base interactions energy: -952.831 where: short stacking energy: -473.043 Base-Backbone interact. energy: -0.696 local terms energy: -554.199127 where: bonds (distance) C4'-P energy: -119.921 bonds (distance) P-C4' energy: -122.574 flat angles C4'-P-C4' energy: -118.160 flat angles P-C4'-P energy: -66.793 tors. eta vs tors. theta energy: -126.751 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: 2 ===================================== Write number: 103 Temperature: 1.150000 Total energy: -1360.970609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1360.970609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1360.970609 (E_RNA) where: Base-Base interactions energy: -855.550 where: short stacking energy: -389.761 Base-Backbone interact. energy: 0.965 local terms energy: -506.386307 where: bonds (distance) C4'-P energy: -119.473 bonds (distance) P-C4' energy: -113.010 flat angles C4'-P-C4' energy: -107.726 flat angles P-C4'-P energy: -83.642 tors. eta vs tors. theta energy: -82.535 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 103 Temperature: 1.200000 Total energy: -1036.616294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1036.616294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1036.616294 (E_RNA) where: Base-Base interactions energy: -600.827 where: short stacking energy: -243.197 Base-Backbone interact. energy: -1.968 local terms energy: -433.821077 where: bonds (distance) C4'-P energy: -113.235 bonds (distance) P-C4' energy: -114.916 flat angles C4'-P-C4' energy: -105.907 flat angles P-C4'-P energy: -76.815 tors. eta vs tors. theta energy: -22.947 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: 103 Temperature: 1.250000 Total energy: -766.646444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -766.646444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -766.646444 (E_RNA) where: Base-Base interactions energy: -387.378 where: short stacking energy: -209.947 Base-Backbone interact. energy: -0.155 local terms energy: -379.113651 where: bonds (distance) C4'-P energy: -113.916 bonds (distance) P-C4' energy: -102.702 flat angles C4'-P-C4' energy: -97.823 flat angles P-C4'-P energy: -51.555 tors. eta vs tors. theta energy: -13.118 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 103 Temperature: 1.300000 Total energy: -525.565114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -525.565114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -525.565114 (E_RNA) where: Base-Base interactions energy: -168.234 where: short stacking energy: -136.298 Base-Backbone interact. energy: 2.539 local terms energy: -359.869786 where: bonds (distance) C4'-P energy: -99.895 bonds (distance) P-C4' energy: -104.158 flat angles C4'-P-C4' energy: -93.291 flat angles P-C4'-P energy: -65.079 tors. eta vs tors. theta energy: 2.554 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: 10, replica: 3 ===================================== Write number: 103 Temperature: 1.350000 Total energy: -519.573656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -519.573656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -519.573656 (E_RNA) where: Base-Base interactions energy: -193.355 where: short stacking energy: -139.724 Base-Backbone interact. energy: 1.715 local terms energy: -327.934248 where: bonds (distance) C4'-P energy: -99.139 bonds (distance) P-C4' energy: -107.124 flat angles C4'-P-C4' energy: -85.095 flat angles P-C4'-P energy: -57.418 tors. eta vs tors. theta energy: 20.843 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 104 Temperature: 0.900000 Total energy: -2054.124087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2054.124087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2054.124087 (E_RNA) where: Base-Base interactions energy: -1382.666 where: short stacking energy: -566.792 Base-Backbone interact. energy: -0.258 local terms energy: -671.199922 where: bonds (distance) C4'-P energy: -131.795 bonds (distance) P-C4' energy: -119.351 flat angles C4'-P-C4' energy: -154.466 flat angles P-C4'-P energy: -92.465 tors. eta vs tors. theta energy: -173.123 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 104 Temperature: 0.950000 Total energy: -2044.386843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2044.386843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2044.386843 (E_RNA) where: Base-Base interactions energy: -1357.555 where: short stacking energy: -579.486 Base-Backbone interact. energy: -4.416 local terms energy: -682.416329 where: bonds (distance) C4'-P energy: -126.663 bonds (distance) P-C4' energy: -133.836 flat angles C4'-P-C4' energy: -142.047 flat angles P-C4'-P energy: -103.393 tors. eta vs tors. theta energy: -176.477 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 104 Temperature: 1.000000 Total energy: -2020.352257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2020.352257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2020.352257 (E_RNA) where: Base-Base interactions energy: -1353.101 where: short stacking energy: -575.198 Base-Backbone interact. energy: -3.822 local terms energy: -663.429251 where: bonds (distance) C4'-P energy: -126.673 bonds (distance) P-C4' energy: -129.352 flat angles C4'-P-C4' energy: -136.452 flat angles P-C4'-P energy: -93.361 tors. eta vs tors. theta energy: -177.592 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: 4, replica: 4 ===================================== Write number: 104 Temperature: 1.050000 Total energy: -1733.684866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1733.684866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1733.684866 (E_RNA) where: Base-Base interactions energy: -1154.339 where: short stacking energy: -500.484 Base-Backbone interact. energy: -2.954 local terms energy: -576.392134 where: bonds (distance) C4'-P energy: -113.123 bonds (distance) P-C4' energy: -130.858 flat angles C4'-P-C4' energy: -126.177 flat angles P-C4'-P energy: -71.817 tors. eta vs tors. theta energy: -134.417 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 104 Temperature: 1.100000 Total energy: -1534.357565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1534.357565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1534.357565 (E_RNA) where: Base-Base interactions energy: -967.535 where: short stacking energy: -437.499 Base-Backbone interact. energy: 1.776 local terms energy: -568.598347 where: bonds (distance) C4'-P energy: -122.735 bonds (distance) P-C4' energy: -125.888 flat angles C4'-P-C4' energy: -122.763 flat angles P-C4'-P energy: -81.585 tors. eta vs tors. theta energy: -115.627 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: 2 ===================================== Write number: 104 Temperature: 1.150000 Total energy: -1405.000134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1405.000134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1405.000134 (E_RNA) where: Base-Base interactions energy: -856.793 where: short stacking energy: -385.692 Base-Backbone interact. energy: 0.141 local terms energy: -548.347659 where: bonds (distance) C4'-P energy: -129.764 bonds (distance) P-C4' energy: -121.569 flat angles C4'-P-C4' energy: -126.678 flat angles P-C4'-P energy: -76.717 tors. eta vs tors. theta energy: -93.620 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: 7 ===================================== Write number: 104 Temperature: 1.200000 Total energy: -1016.394449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1016.394449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1016.394449 (E_RNA) where: Base-Base interactions energy: -564.659 where: short stacking energy: -254.371 Base-Backbone interact. energy: 3.514 local terms energy: -455.248932 where: bonds (distance) C4'-P energy: -113.264 bonds (distance) P-C4' energy: -117.785 flat angles C4'-P-C4' energy: -106.049 flat angles P-C4'-P energy: -83.795 tors. eta vs tors. theta energy: -34.355 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: 1 ===================================== Write number: 104 Temperature: 1.250000 Total energy: -779.034944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -779.034944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -779.034944 (E_RNA) where: Base-Base interactions energy: -364.757 where: short stacking energy: -215.238 Base-Backbone interact. energy: -2.274 local terms energy: -412.004399 where: bonds (distance) C4'-P energy: -118.537 bonds (distance) P-C4' energy: -111.957 flat angles C4'-P-C4' energy: -117.040 flat angles P-C4'-P energy: -40.878 tors. eta vs tors. theta energy: -23.591 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 104 Temperature: 1.300000 Total energy: -553.345007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -553.345007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -553.345007 (E_RNA) where: Base-Base interactions energy: -199.364 where: short stacking energy: -117.191 Base-Backbone interact. energy: 1.052 local terms energy: -355.032687 where: bonds (distance) C4'-P energy: -108.394 bonds (distance) P-C4' energy: -113.183 flat angles C4'-P-C4' energy: -118.289 flat angles P-C4'-P energy: -50.218 tors. eta vs tors. theta energy: 35.052 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 104 Temperature: 1.350000 Total energy: -500.993169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -500.993169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -500.993169 (E_RNA) where: Base-Base interactions energy: -184.878 where: short stacking energy: -139.706 Base-Backbone interact. energy: -0.168 local terms energy: -315.946762 where: bonds (distance) C4'-P energy: -90.385 bonds (distance) P-C4' energy: -96.687 flat angles C4'-P-C4' energy: -87.137 flat angles P-C4'-P energy: -66.500 tors. eta vs tors. theta energy: 24.763 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 105 Temperature: 0.900000 Total energy: -2062.009847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2062.009847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2062.009847 (E_RNA) where: Base-Base interactions energy: -1384.909 where: short stacking energy: -613.525 Base-Backbone interact. energy: -5.899 local terms energy: -671.202206 where: bonds (distance) C4'-P energy: -139.819 bonds (distance) P-C4' energy: -121.450 flat angles C4'-P-C4' energy: -146.507 flat angles P-C4'-P energy: -93.233 tors. eta vs tors. theta energy: -170.194 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 105 Temperature: 0.950000 Total energy: -2073.493612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2073.493612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2073.493612 (E_RNA) where: Base-Base interactions energy: -1378.090 where: short stacking energy: -578.021 Base-Backbone interact. energy: -3.666 local terms energy: -691.737818 where: bonds (distance) C4'-P energy: -138.115 bonds (distance) P-C4' energy: -137.018 flat angles C4'-P-C4' energy: -151.116 flat angles P-C4'-P energy: -92.100 tors. eta vs tors. theta energy: -173.389 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: 6 ===================================== Write number: 105 Temperature: 1.000000 Total energy: -1979.907359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1979.907359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1979.907359 (E_RNA) where: Base-Base interactions energy: -1318.269 where: short stacking energy: -593.006 Base-Backbone interact. energy: 1.446 local terms energy: -663.084149 where: bonds (distance) C4'-P energy: -125.086 bonds (distance) P-C4' energy: -132.444 flat angles C4'-P-C4' energy: -148.013 flat angles P-C4'-P energy: -92.400 tors. eta vs tors. theta energy: -165.142 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 105 Temperature: 1.050000 Total energy: -1785.063390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1785.063390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1785.063390 (E_RNA) where: Base-Base interactions energy: -1150.316 where: short stacking energy: -486.632 Base-Backbone interact. energy: -3.124 local terms energy: -631.623129 where: bonds (distance) C4'-P energy: -132.185 bonds (distance) P-C4' energy: -142.166 flat angles C4'-P-C4' energy: -144.882 flat angles P-C4'-P energy: -85.403 tors. eta vs tors. theta energy: -126.988 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 105 Temperature: 1.100000 Total energy: -1547.622373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1547.622373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1547.622373 (E_RNA) where: Base-Base interactions energy: -998.422 where: short stacking energy: -437.689 Base-Backbone interact. energy: -2.141 local terms energy: -547.059403 where: bonds (distance) C4'-P energy: -113.190 bonds (distance) P-C4' energy: -112.300 flat angles C4'-P-C4' energy: -127.569 flat angles P-C4'-P energy: -75.821 tors. eta vs tors. theta energy: -118.179 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 105 Temperature: 1.150000 Total energy: -1360.706086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1360.706086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1360.706086 (E_RNA) where: Base-Base interactions energy: -844.127 where: short stacking energy: -389.134 Base-Backbone interact. energy: -1.135 local terms energy: -515.444606 where: bonds (distance) C4'-P energy: -104.927 bonds (distance) P-C4' energy: -114.090 flat angles C4'-P-C4' energy: -125.550 flat angles P-C4'-P energy: -72.744 tors. eta vs tors. theta energy: -98.134 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 105 Temperature: 1.200000 Total energy: -1155.074399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1155.074399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1155.074399 (E_RNA) where: Base-Base interactions energy: -675.332 where: short stacking energy: -308.130 Base-Backbone interact. energy: -1.785 local terms energy: -477.957674 where: bonds (distance) C4'-P energy: -127.342 bonds (distance) P-C4' energy: -124.119 flat angles C4'-P-C4' energy: -113.774 flat angles P-C4'-P energy: -55.734 tors. eta vs tors. theta energy: -56.988 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 105 Temperature: 1.250000 Total energy: -798.925561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -798.925561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -798.925561 (E_RNA) where: Base-Base interactions energy: -396.706 where: short stacking energy: -229.216 Base-Backbone interact. energy: -2.918 local terms energy: -399.301103 where: bonds (distance) C4'-P energy: -121.598 bonds (distance) P-C4' energy: -122.781 flat angles C4'-P-C4' energy: -98.246 flat angles P-C4'-P energy: -55.871 tors. eta vs tors. theta energy: -0.805 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: 9, replica: 9 ===================================== Write number: 105 Temperature: 1.300000 Total energy: -545.125244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -545.125244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -545.125244 (E_RNA) where: Base-Base interactions energy: -182.125 where: short stacking energy: -144.085 Base-Backbone interact. energy: 5.414 local terms energy: -368.414033 where: bonds (distance) C4'-P energy: -121.337 bonds (distance) P-C4' energy: -123.435 flat angles C4'-P-C4' energy: -100.570 flat angles P-C4'-P energy: -51.531 tors. eta vs tors. theta energy: 28.458 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 105 Temperature: 1.350000 Total energy: -501.538942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -501.538942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -501.538942 (E_RNA) where: Base-Base interactions energy: -169.912 where: short stacking energy: -124.222 Base-Backbone interact. energy: -2.108 local terms energy: -329.518526 where: bonds (distance) C4'-P energy: -110.952 bonds (distance) P-C4' energy: -97.541 flat angles C4'-P-C4' energy: -93.817 flat angles P-C4'-P energy: -52.171 tors. eta vs tors. theta energy: 24.962 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: 10 ===================================== Write number: 106 Temperature: 0.900000 Total energy: -2091.046845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2091.046845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2091.046845 (E_RNA) where: Base-Base interactions energy: -1427.094 where: short stacking energy: -588.121 Base-Backbone interact. energy: -4.537 local terms energy: -659.416545 where: bonds (distance) C4'-P energy: -125.309 bonds (distance) P-C4' energy: -136.118 flat angles C4'-P-C4' energy: -130.089 flat angles P-C4'-P energy: -97.783 tors. eta vs tors. theta energy: -170.118 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: 5 ===================================== Write number: 106 Temperature: 0.950000 Total energy: -2047.096249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2047.096249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2047.096249 (E_RNA) where: Base-Base interactions energy: -1368.726 where: short stacking energy: -566.132 Base-Backbone interact. energy: -1.838 local terms energy: -676.531883 where: bonds (distance) C4'-P energy: -135.007 bonds (distance) P-C4' energy: -146.355 flat angles C4'-P-C4' energy: -130.867 flat angles P-C4'-P energy: -91.864 tors. eta vs tors. theta energy: -172.439 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: 6 ===================================== Write number: 106 Temperature: 1.000000 Total energy: -1925.495312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1925.495312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1925.495312 (E_RNA) where: Base-Base interactions energy: -1306.986 where: short stacking energy: -524.792 Base-Backbone interact. energy: -2.354 local terms energy: -616.155012 where: bonds (distance) C4'-P energy: -122.361 bonds (distance) P-C4' energy: -123.584 flat angles C4'-P-C4' energy: -135.949 flat angles P-C4'-P energy: -75.704 tors. eta vs tors. theta energy: -158.558 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: 4 ===================================== Write number: 106 Temperature: 1.050000 Total energy: -1716.758024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1716.758024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1716.758024 (E_RNA) where: Base-Base interactions energy: -1167.971 where: short stacking energy: -485.722 Base-Backbone interact. energy: 0.518 local terms energy: -549.304728 where: bonds (distance) C4'-P energy: -126.880 bonds (distance) P-C4' energy: -98.440 flat angles C4'-P-C4' energy: -120.513 flat angles P-C4'-P energy: -80.522 tors. eta vs tors. theta energy: -122.950 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: 8 ===================================== Write number: 106 Temperature: 1.100000 Total energy: -1569.426276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1569.426276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1569.426276 (E_RNA) where: Base-Base interactions energy: -996.816 where: short stacking energy: -422.411 Base-Backbone interact. energy: -2.478 local terms energy: -570.132149 where: bonds (distance) C4'-P energy: -127.155 bonds (distance) P-C4' energy: -132.456 flat angles C4'-P-C4' energy: -130.884 flat angles P-C4'-P energy: -72.267 tors. eta vs tors. theta energy: -107.370 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: 2 ===================================== Write number: 106 Temperature: 1.150000 Total energy: -1316.976763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1316.976763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1316.976763 (E_RNA) where: Base-Base interactions energy: -780.089 where: short stacking energy: -340.022 Base-Backbone interact. energy: -0.720 local terms energy: -536.167539 where: bonds (distance) C4'-P energy: -122.901 bonds (distance) P-C4' energy: -118.728 flat angles C4'-P-C4' energy: -130.311 flat angles P-C4'-P energy: -88.383 tors. eta vs tors. theta energy: -75.844 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 106 Temperature: 1.200000 Total energy: -1157.245348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1157.245348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1157.245348 (E_RNA) where: Base-Base interactions energy: -713.213 where: short stacking energy: -345.579 Base-Backbone interact. energy: -1.551 local terms energy: -442.481573 where: bonds (distance) C4'-P energy: -102.234 bonds (distance) P-C4' energy: -104.287 flat angles C4'-P-C4' energy: -107.402 flat angles P-C4'-P energy: -59.820 tors. eta vs tors. theta energy: -68.738 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 106 Temperature: 1.250000 Total energy: -794.768480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -794.768480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -794.768480 (E_RNA) where: Base-Base interactions energy: -369.078 where: short stacking energy: -213.817 Base-Backbone interact. energy: 0.653 local terms energy: -426.343619 where: bonds (distance) C4'-P energy: -100.704 bonds (distance) P-C4' energy: -114.993 flat angles C4'-P-C4' energy: -117.760 flat angles P-C4'-P energy: -77.838 tors. eta vs tors. theta energy: -15.049 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 106 Temperature: 1.300000 Total energy: -547.003520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -547.003520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -547.003520 (E_RNA) where: Base-Base interactions energy: -218.519 where: short stacking energy: -129.809 Base-Backbone interact. energy: -1.326 local terms energy: -327.158212 where: bonds (distance) C4'-P energy: -104.066 bonds (distance) P-C4' energy: -101.094 flat angles C4'-P-C4' energy: -91.947 flat angles P-C4'-P energy: -55.174 tors. eta vs tors. theta energy: 25.124 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: 3 ===================================== Write number: 106 Temperature: 1.350000 Total energy: -525.995876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -525.995876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -525.995876 (E_RNA) where: Base-Base interactions energy: -206.836 where: short stacking energy: -144.049 Base-Backbone interact. energy: 1.600 local terms energy: -320.759502 where: bonds (distance) C4'-P energy: -110.352 bonds (distance) P-C4' energy: -105.414 flat angles C4'-P-C4' energy: -91.938 flat angles P-C4'-P energy: -51.859 tors. eta vs tors. theta energy: 38.802 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: 107 Temperature: 0.900000 Total energy: -2114.508002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2114.508002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2114.508002 (E_RNA) where: Base-Base interactions energy: -1414.680 where: short stacking energy: -597.343 Base-Backbone interact. energy: -2.342 local terms energy: -697.485305 where: bonds (distance) C4'-P energy: -131.068 bonds (distance) P-C4' energy: -138.529 flat angles C4'-P-C4' energy: -147.258 flat angles P-C4'-P energy: -104.993 tors. eta vs tors. theta energy: -175.637 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 107 Temperature: 0.950000 Total energy: -2068.688146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2068.688146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2068.688146 (E_RNA) where: Base-Base interactions energy: -1374.814 where: short stacking energy: -586.090 Base-Backbone interact. energy: -3.118 local terms energy: -690.756255 where: bonds (distance) C4'-P energy: -131.982 bonds (distance) P-C4' energy: -134.886 flat angles C4'-P-C4' energy: -149.519 flat angles P-C4'-P energy: -103.346 tors. eta vs tors. theta energy: -171.023 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: 3, replica: 6 ===================================== Write number: 107 Temperature: 1.000000 Total energy: -1978.628271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1978.628271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1978.628271 (E_RNA) where: Base-Base interactions energy: -1319.532 where: short stacking energy: -574.158 Base-Backbone interact. energy: 2.946 local terms energy: -662.042489 where: bonds (distance) C4'-P energy: -121.411 bonds (distance) P-C4' energy: -127.055 flat angles C4'-P-C4' energy: -144.137 flat angles P-C4'-P energy: -95.079 tors. eta vs tors. theta energy: -174.360 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 107 Temperature: 1.050000 Total energy: -1735.229209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1735.229209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1735.229209 (E_RNA) where: Base-Base interactions energy: -1147.737 where: short stacking energy: -485.970 Base-Backbone interact. energy: -1.404 local terms energy: -586.087779 where: bonds (distance) C4'-P energy: -121.134 bonds (distance) P-C4' energy: -131.058 flat angles C4'-P-C4' energy: -130.652 flat angles P-C4'-P energy: -79.961 tors. eta vs tors. theta energy: -123.283 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 107 Temperature: 1.100000 Total energy: -1570.297780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1570.297780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1570.297780 (E_RNA) where: Base-Base interactions energy: -1024.798 where: short stacking energy: -414.614 Base-Backbone interact. energy: -0.567 local terms energy: -544.932794 where: bonds (distance) C4'-P energy: -108.318 bonds (distance) P-C4' energy: -133.029 flat angles C4'-P-C4' energy: -122.293 flat angles P-C4'-P energy: -71.045 tors. eta vs tors. theta energy: -110.247 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: 2 ===================================== Write number: 107 Temperature: 1.150000 Total energy: -1250.988539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1250.988539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1250.988539 (E_RNA) where: Base-Base interactions energy: -746.920 where: short stacking energy: -322.286 Base-Backbone interact. energy: 2.898 local terms energy: -506.967402 where: bonds (distance) C4'-P energy: -115.961 bonds (distance) P-C4' energy: -132.906 flat angles C4'-P-C4' energy: -101.889 flat angles P-C4'-P energy: -88.768 tors. eta vs tors. theta energy: -67.443 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 107 Temperature: 1.200000 Total energy: -1220.265680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1220.265680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1220.265680 (E_RNA) where: Base-Base interactions energy: -733.667 where: short stacking energy: -335.155 Base-Backbone interact. energy: -2.033 local terms energy: -484.564739 where: bonds (distance) C4'-P energy: -124.150 bonds (distance) P-C4' energy: -131.727 flat angles C4'-P-C4' energy: -107.738 flat angles P-C4'-P energy: -62.980 tors. eta vs tors. theta energy: -57.971 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 107 Temperature: 1.250000 Total energy: -807.121998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -807.121998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -807.121998 (E_RNA) where: Base-Base interactions energy: -424.149 where: short stacking energy: -242.652 Base-Backbone interact. energy: -2.939 local terms energy: -380.034678 where: bonds (distance) C4'-P energy: -110.001 bonds (distance) P-C4' energy: -118.500 flat angles C4'-P-C4' energy: -93.989 flat angles P-C4'-P energy: -44.941 tors. eta vs tors. theta energy: -12.603 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 107 Temperature: 1.300000 Total energy: -529.361695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -529.361695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -529.361695 (E_RNA) where: Base-Base interactions energy: -189.239 where: short stacking energy: -139.165 Base-Backbone interact. energy: 0.849 local terms energy: -340.972028 where: bonds (distance) C4'-P energy: -101.277 bonds (distance) P-C4' energy: -105.278 flat angles C4'-P-C4' energy: -111.612 flat angles P-C4'-P energy: -54.284 tors. eta vs tors. theta energy: 31.479 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: 10, replica: 3 ===================================== Write number: 107 Temperature: 1.350000 Total energy: -472.404805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -472.404805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -472.404805 (E_RNA) where: Base-Base interactions energy: -156.679 where: short stacking energy: -128.030 Base-Backbone interact. energy: -0.954 local terms energy: -314.771440 where: bonds (distance) C4'-P energy: -115.867 bonds (distance) P-C4' energy: -119.032 flat angles C4'-P-C4' energy: -79.156 flat angles P-C4'-P energy: -38.181 tors. eta vs tors. theta energy: 37.465 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 108 Temperature: 0.900000 Total energy: -2108.158420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2108.158420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2108.158420 (E_RNA) where: Base-Base interactions energy: -1413.733 where: short stacking energy: -600.228 Base-Backbone interact. energy: -2.636 local terms energy: -691.789409 where: bonds (distance) C4'-P energy: -138.223 bonds (distance) P-C4' energy: -125.954 flat angles C4'-P-C4' energy: -153.285 flat angles P-C4'-P energy: -101.640 tors. eta vs tors. theta energy: -172.688 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 108 Temperature: 0.950000 Total energy: -2043.974744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2043.974744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2043.974744 (E_RNA) where: Base-Base interactions energy: -1387.029 where: short stacking energy: -581.400 Base-Backbone interact. energy: -5.932 local terms energy: -651.014192 where: bonds (distance) C4'-P energy: -119.050 bonds (distance) P-C4' energy: -132.543 flat angles C4'-P-C4' energy: -144.022 flat angles P-C4'-P energy: -90.010 tors. eta vs tors. theta energy: -165.389 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: 6 ===================================== Write number: 108 Temperature: 1.000000 Total energy: -1966.898760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1966.898760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1966.898760 (E_RNA) where: Base-Base interactions energy: -1310.903 where: short stacking energy: -536.643 Base-Backbone interact. energy: 0.259 local terms energy: -656.254246 where: bonds (distance) C4'-P energy: -113.777 bonds (distance) P-C4' energy: -136.057 flat angles C4'-P-C4' energy: -136.568 flat angles P-C4'-P energy: -101.369 tors. eta vs tors. theta energy: -168.483 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 108 Temperature: 1.050000 Total energy: -1712.807558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1712.807558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1712.807558 (E_RNA) where: Base-Base interactions energy: -1117.301 where: short stacking energy: -468.061 Base-Backbone interact. energy: -1.676 local terms energy: -593.830341 where: bonds (distance) C4'-P energy: -123.918 bonds (distance) P-C4' energy: -126.276 flat angles C4'-P-C4' energy: -128.515 flat angles P-C4'-P energy: -88.766 tors. eta vs tors. theta energy: -126.355 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 108 Temperature: 1.100000 Total energy: -1608.247193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1608.247193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1608.247193 (E_RNA) where: Base-Base interactions energy: -1073.473 where: short stacking energy: -435.937 Base-Backbone interact. energy: 4.753 local terms energy: -539.526699 where: bonds (distance) C4'-P energy: -119.904 bonds (distance) P-C4' energy: -125.155 flat angles C4'-P-C4' energy: -118.118 flat angles P-C4'-P energy: -72.770 tors. eta vs tors. theta energy: -103.580 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 108 Temperature: 1.150000 Total energy: -1331.232043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1331.232043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1331.232043 (E_RNA) where: Base-Base interactions energy: -831.475 where: short stacking energy: -373.337 Base-Backbone interact. energy: -0.282 local terms energy: -499.475705 where: bonds (distance) C4'-P energy: -107.792 bonds (distance) P-C4' energy: -110.721 flat angles C4'-P-C4' energy: -140.467 flat angles P-C4'-P energy: -67.593 tors. eta vs tors. theta energy: -72.903 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: 7 ===================================== Write number: 108 Temperature: 1.200000 Total energy: -1189.321628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1189.321628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1189.321628 (E_RNA) where: Base-Base interactions energy: -722.650 where: short stacking energy: -339.844 Base-Backbone interact. energy: -5.185 local terms energy: -461.486922 where: bonds (distance) C4'-P energy: -114.871 bonds (distance) P-C4' energy: -121.755 flat angles C4'-P-C4' energy: -113.680 flat angles P-C4'-P energy: -48.397 tors. eta vs tors. theta energy: -62.784 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: 1 ===================================== Write number: 108 Temperature: 1.250000 Total energy: -803.218548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -803.218548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -803.218548 (E_RNA) where: Base-Base interactions energy: -371.969 where: short stacking energy: -186.016 Base-Backbone interact. energy: 1.141 local terms energy: -432.390034 where: bonds (distance) C4'-P energy: -106.401 bonds (distance) P-C4' energy: -137.843 flat angles C4'-P-C4' energy: -111.628 flat angles P-C4'-P energy: -76.954 tors. eta vs tors. theta energy: 0.437 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 108 Temperature: 1.300000 Total energy: -602.821176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -602.821176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -602.821176 (E_RNA) where: Base-Base interactions energy: -225.679 where: short stacking energy: -147.490 Base-Backbone interact. energy: -0.089 local terms energy: -377.053504 where: bonds (distance) C4'-P energy: -109.851 bonds (distance) P-C4' energy: -134.726 flat angles C4'-P-C4' energy: -97.130 flat angles P-C4'-P energy: -54.977 tors. eta vs tors. theta energy: 19.631 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: 3 ===================================== Write number: 108 Temperature: 1.350000 Total energy: -509.658298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -509.658298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -509.658298 (E_RNA) where: Base-Base interactions energy: -177.374 where: short stacking energy: -137.734 Base-Backbone interact. energy: 6.293 local terms energy: -338.577412 where: bonds (distance) C4'-P energy: -114.301 bonds (distance) P-C4' energy: -120.555 flat angles C4'-P-C4' energy: -79.123 flat angles P-C4'-P energy: -45.176 tors. eta vs tors. theta energy: 20.578 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 109 Temperature: 0.900000 Total energy: -2097.379049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2097.379049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2097.379049 (E_RNA) where: Base-Base interactions energy: -1385.586 where: short stacking energy: -618.018 Base-Backbone interact. energy: 2.645 local terms energy: -714.547998 where: bonds (distance) C4'-P energy: -131.535 bonds (distance) P-C4' energy: -135.516 flat angles C4'-P-C4' energy: -153.221 flat angles P-C4'-P energy: -96.837 tors. eta vs tors. theta energy: -197.439 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.111 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 109 Temperature: 0.950000 Total energy: -2115.906080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2115.906080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2115.906080 (E_RNA) where: Base-Base interactions energy: -1414.053 where: short stacking energy: -591.228 Base-Backbone interact. energy: -4.206 local terms energy: -697.647426 where: bonds (distance) C4'-P energy: -138.467 bonds (distance) P-C4' energy: -132.325 flat angles C4'-P-C4' energy: -147.183 flat angles P-C4'-P energy: -92.644 tors. eta vs tors. theta energy: -187.029 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: 6 ===================================== Write number: 109 Temperature: 1.000000 Total energy: -1985.235375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1985.235375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1985.235375 (E_RNA) where: Base-Base interactions energy: -1342.789 where: short stacking energy: -565.393 Base-Backbone interact. energy: -1.684 local terms energy: -640.762323 where: bonds (distance) C4'-P energy: -116.589 bonds (distance) P-C4' energy: -130.948 flat angles C4'-P-C4' energy: -142.566 flat angles P-C4'-P energy: -83.501 tors. eta vs tors. theta energy: -167.159 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: 4 ===================================== Write number: 109 Temperature: 1.050000 Total energy: -1694.024397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1694.024397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1694.024397 (E_RNA) where: Base-Base interactions energy: -1135.079 where: short stacking energy: -462.660 Base-Backbone interact. energy: -3.095 local terms energy: -555.850672 where: bonds (distance) C4'-P energy: -99.359 bonds (distance) P-C4' energy: -136.103 flat angles C4'-P-C4' energy: -123.163 flat angles P-C4'-P energy: -76.342 tors. eta vs tors. theta energy: -120.884 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 109 Temperature: 1.100000 Total energy: -1637.241484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1637.241484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1637.241484 (E_RNA) where: Base-Base interactions energy: -1061.065 where: short stacking energy: -447.757 Base-Backbone interact. energy: 0.047 local terms energy: -576.223537 where: bonds (distance) C4'-P energy: -132.729 bonds (distance) P-C4' energy: -130.676 flat angles C4'-P-C4' energy: -134.492 flat angles P-C4'-P energy: -81.221 tors. eta vs tors. theta energy: -97.105 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: 6, replica: 2 ===================================== Write number: 109 Temperature: 1.150000 Total energy: -1344.260854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1344.260854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1344.260854 (E_RNA) where: Base-Base interactions energy: -821.008 where: short stacking energy: -369.308 Base-Backbone interact. energy: -1.163 local terms energy: -522.089734 where: bonds (distance) C4'-P energy: -117.298 bonds (distance) P-C4' energy: -117.663 flat angles C4'-P-C4' energy: -123.289 flat angles P-C4'-P energy: -84.126 tors. eta vs tors. theta energy: -79.713 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 109 Temperature: 1.200000 Total energy: -1232.132475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1232.132475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1232.132475 (E_RNA) where: Base-Base interactions energy: -767.753 where: short stacking energy: -352.799 Base-Backbone interact. energy: -0.943 local terms energy: -463.436355 where: bonds (distance) C4'-P energy: -103.214 bonds (distance) P-C4' energy: -108.786 flat angles C4'-P-C4' energy: -110.037 flat angles P-C4'-P energy: -73.059 tors. eta vs tors. theta energy: -68.341 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 109 Temperature: 1.250000 Total energy: -745.292296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -745.292296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -745.292296 (E_RNA) where: Base-Base interactions energy: -363.568 where: short stacking energy: -191.238 Base-Backbone interact. energy: 1.729 local terms energy: -383.453444 where: bonds (distance) C4'-P energy: -101.278 bonds (distance) P-C4' energy: -118.051 flat angles C4'-P-C4' energy: -101.831 flat angles P-C4'-P energy: -58.514 tors. eta vs tors. theta energy: -3.779 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 109 Temperature: 1.300000 Total energy: -538.204875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -538.204875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -538.204875 (E_RNA) where: Base-Base interactions energy: -183.600 where: short stacking energy: -155.422 Base-Backbone interact. energy: -1.686 local terms energy: -352.919208 where: bonds (distance) C4'-P energy: -105.008 bonds (distance) P-C4' energy: -111.883 flat angles C4'-P-C4' energy: -98.304 flat angles P-C4'-P energy: -59.230 tors. eta vs tors. theta energy: 21.506 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 109 Temperature: 1.350000 Total energy: -467.190190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -467.190190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -467.190190 (E_RNA) where: Base-Base interactions energy: -150.133 where: short stacking energy: -115.921 Base-Backbone interact. energy: 4.818 local terms energy: -321.874337 where: bonds (distance) C4'-P energy: -121.924 bonds (distance) P-C4' energy: -111.715 flat angles C4'-P-C4' energy: -79.978 flat angles P-C4'-P energy: -46.306 tors. eta vs tors. theta energy: 38.049 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: 10 ===================================== Write number: 110 Temperature: 0.900000 Total energy: -2092.584143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2092.584143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2092.584143 (E_RNA) where: Base-Base interactions energy: -1399.630 where: short stacking energy: -615.837 Base-Backbone interact. energy: 0.571 local terms energy: -693.525484 where: bonds (distance) C4'-P energy: -130.866 bonds (distance) P-C4' energy: -139.318 flat angles C4'-P-C4' energy: -140.011 flat angles P-C4'-P energy: -107.411 tors. eta vs tors. theta energy: -175.918 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 110 Temperature: 0.950000 Total energy: -2064.369278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2064.369278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2064.369278 (E_RNA) where: Base-Base interactions energy: -1370.002 where: short stacking energy: -560.055 Base-Backbone interact. energy: -0.255 local terms energy: -694.112725 where: bonds (distance) C4'-P energy: -126.373 bonds (distance) P-C4' energy: -139.241 flat angles C4'-P-C4' energy: -150.143 flat angles P-C4'-P energy: -103.110 tors. eta vs tors. theta energy: -175.246 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 110 Temperature: 1.000000 Total energy: -1977.427423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1977.427423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1977.427423 (E_RNA) where: Base-Base interactions energy: -1313.226 where: short stacking energy: -562.728 Base-Backbone interact. energy: -1.389 local terms energy: -662.813143 where: bonds (distance) C4'-P energy: -134.801 bonds (distance) P-C4' energy: -120.945 flat angles C4'-P-C4' energy: -147.850 flat angles P-C4'-P energy: -88.773 tors. eta vs tors. theta energy: -170.444 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: 4 ===================================== Write number: 110 Temperature: 1.050000 Total energy: -1704.633009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1704.633009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1704.633009 (E_RNA) where: Base-Base interactions energy: -1132.402 where: short stacking energy: -473.062 Base-Backbone interact. energy: -4.711 local terms energy: -567.519651 where: bonds (distance) C4'-P energy: -114.627 bonds (distance) P-C4' energy: -122.979 flat angles C4'-P-C4' energy: -141.249 flat angles P-C4'-P energy: -57.216 tors. eta vs tors. theta energy: -131.449 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 110 Temperature: 1.100000 Total energy: -1613.675576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1613.675576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1613.675576 (E_RNA) where: Base-Base interactions energy: -1051.314 where: short stacking energy: -443.800 Base-Backbone interact. energy: 2.252 local terms energy: -564.614154 where: bonds (distance) C4'-P energy: -125.605 bonds (distance) P-C4' energy: -123.043 flat angles C4'-P-C4' energy: -124.732 flat angles P-C4'-P energy: -70.363 tors. eta vs tors. theta energy: -120.872 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 110 Temperature: 1.150000 Total energy: -1311.045324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1311.045324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1311.045324 (E_RNA) where: Base-Base interactions energy: -816.346 where: short stacking energy: -369.711 Base-Backbone interact. energy: -0.948 local terms energy: -493.751210 where: bonds (distance) C4'-P energy: -106.909 bonds (distance) P-C4' energy: -114.058 flat angles C4'-P-C4' energy: -120.807 flat angles P-C4'-P energy: -80.399 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: 7, replica: 7 ===================================== Write number: 110 Temperature: 1.200000 Total energy: -1148.134354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1148.134354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1148.134354 (E_RNA) where: Base-Base interactions energy: -691.363 where: short stacking energy: -318.247 Base-Backbone interact. energy: 2.882 local terms energy: -459.652650 where: bonds (distance) C4'-P energy: -113.396 bonds (distance) P-C4' energy: -132.611 flat angles C4'-P-C4' energy: -105.442 flat angles P-C4'-P energy: -66.911 tors. eta vs tors. theta energy: -41.292 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: 1 ===================================== Write number: 110 Temperature: 1.250000 Total energy: -751.897770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -751.897770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -751.897770 (E_RNA) where: Base-Base interactions energy: -374.175 where: short stacking energy: -184.889 Base-Backbone interact. energy: 4.869 local terms energy: -382.592241 where: bonds (distance) C4'-P energy: -99.666 bonds (distance) P-C4' energy: -126.973 flat angles C4'-P-C4' energy: -104.043 flat angles P-C4'-P energy: -42.888 tors. eta vs tors. theta energy: -9.022 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 110 Temperature: 1.300000 Total energy: -507.365140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -507.365140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -507.365140 (E_RNA) where: Base-Base interactions energy: -165.643 where: short stacking energy: -132.102 Base-Backbone interact. energy: -1.748 local terms energy: -339.974596 where: bonds (distance) C4'-P energy: -110.103 bonds (distance) P-C4' energy: -107.442 flat angles C4'-P-C4' energy: -80.767 flat angles P-C4'-P energy: -73.505 tors. eta vs tors. theta energy: 31.843 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: 3 ===================================== Write number: 110 Temperature: 1.350000 Total energy: -485.309854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -485.309854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -485.309854 (E_RNA) where: Base-Base interactions energy: -163.417 where: short stacking energy: -121.698 Base-Backbone interact. energy: 2.833 local terms energy: -324.726528 where: bonds (distance) C4'-P energy: -110.219 bonds (distance) P-C4' energy: -110.378 flat angles C4'-P-C4' energy: -85.862 flat angles P-C4'-P energy: -59.043 tors. eta vs tors. theta energy: 40.777 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 111 Temperature: 0.900000 Total energy: -2096.619264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2096.619264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2096.619264 (E_RNA) where: Base-Base interactions energy: -1377.390 where: short stacking energy: -583.581 Base-Backbone interact. energy: -2.462 local terms energy: -716.768154 where: bonds (distance) C4'-P energy: -144.939 bonds (distance) P-C4' energy: -135.010 flat angles C4'-P-C4' energy: -152.163 flat angles P-C4'-P energy: -99.232 tors. eta vs tors. theta energy: -185.423 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: 5 ===================================== Write number: 111 Temperature: 0.950000 Total energy: -2036.821533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2036.821533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2036.821533 (E_RNA) where: Base-Base interactions energy: -1362.435 where: short stacking energy: -578.483 Base-Backbone interact. energy: -1.884 local terms energy: -672.503198 where: bonds (distance) C4'-P energy: -131.779 bonds (distance) P-C4' energy: -128.843 flat angles C4'-P-C4' energy: -132.004 flat angles P-C4'-P energy: -96.656 tors. eta vs tors. theta energy: -183.220 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 111 Temperature: 1.000000 Total energy: -1960.479127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1960.479127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1960.479127 (E_RNA) where: Base-Base interactions energy: -1305.895 where: short stacking energy: -536.862 Base-Backbone interact. energy: -2.509 local terms energy: -652.075872 where: bonds (distance) C4'-P energy: -126.592 bonds (distance) P-C4' energy: -127.991 flat angles C4'-P-C4' energy: -134.903 flat angles P-C4'-P energy: -101.288 tors. eta vs tors. theta energy: -161.303 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 111 Temperature: 1.050000 Total energy: -1735.224412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1735.224412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1735.224412 (E_RNA) where: Base-Base interactions energy: -1124.168 where: short stacking energy: -514.216 Base-Backbone interact. energy: -1.490 local terms energy: -609.567154 where: bonds (distance) C4'-P energy: -109.498 bonds (distance) P-C4' energy: -129.149 flat angles C4'-P-C4' energy: -141.257 flat angles P-C4'-P energy: -74.105 tors. eta vs tors. theta energy: -155.559 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: 5, replica: 8 ===================================== Write number: 111 Temperature: 1.100000 Total energy: -1631.066130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1631.066130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1631.066130 (E_RNA) where: Base-Base interactions energy: -1063.471 where: short stacking energy: -467.469 Base-Backbone interact. energy: -2.996 local terms energy: -564.599422 where: bonds (distance) C4'-P energy: -115.155 bonds (distance) P-C4' energy: -119.977 flat angles C4'-P-C4' energy: -127.614 flat angles P-C4'-P energy: -77.212 tors. eta vs tors. theta energy: -124.641 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: 2 ===================================== Write number: 111 Temperature: 1.150000 Total energy: -1338.494799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1338.494799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1338.494799 (E_RNA) where: Base-Base interactions energy: -815.348 where: short stacking energy: -377.025 Base-Backbone interact. energy: 4.115 local terms energy: -527.261260 where: bonds (distance) C4'-P energy: -117.344 bonds (distance) P-C4' energy: -132.104 flat angles C4'-P-C4' energy: -115.250 flat angles P-C4'-P energy: -65.641 tors. eta vs tors. theta energy: -96.922 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 111 Temperature: 1.200000 Total energy: -1153.258550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1153.258550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1153.258550 (E_RNA) where: Base-Base interactions energy: -681.909 where: short stacking energy: -323.818 Base-Backbone interact. energy: -1.018 local terms energy: -470.331516 where: bonds (distance) C4'-P energy: -113.703 bonds (distance) P-C4' energy: -120.760 flat angles C4'-P-C4' energy: -108.865 flat angles P-C4'-P energy: -78.126 tors. eta vs tors. theta energy: -48.877 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: 1 ===================================== Write number: 111 Temperature: 1.250000 Total energy: -797.404819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -797.404819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -797.404819 (E_RNA) where: Base-Base interactions energy: -399.800 where: short stacking energy: -219.626 Base-Backbone interact. energy: 4.032 local terms energy: -401.636890 where: bonds (distance) C4'-P energy: -94.837 bonds (distance) P-C4' energy: -111.196 flat angles C4'-P-C4' energy: -96.759 flat angles P-C4'-P energy: -59.441 tors. eta vs tors. theta energy: -39.404 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: 9 ===================================== Write number: 111 Temperature: 1.300000 Total energy: -567.676693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -567.676693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -567.676693 (E_RNA) where: Base-Base interactions energy: -226.163 where: short stacking energy: -154.061 Base-Backbone interact. energy: -0.235 local terms energy: -341.278692 where: bonds (distance) C4'-P energy: -128.810 bonds (distance) P-C4' energy: -109.810 flat angles C4'-P-C4' energy: -95.408 flat angles P-C4'-P energy: -23.254 tors. eta vs tors. theta energy: 16.003 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 111 Temperature: 1.350000 Total energy: -572.786120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -572.786120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -572.786120 (E_RNA) where: Base-Base interactions energy: -200.337 where: short stacking energy: -148.916 Base-Backbone interact. energy: 0.933 local terms energy: -373.382090 where: bonds (distance) C4'-P energy: -128.975 bonds (distance) P-C4' energy: -120.214 flat angles C4'-P-C4' energy: -77.572 flat angles P-C4'-P energy: -53.333 tors. eta vs tors. theta energy: 6.712 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 112 Temperature: 0.900000 Total energy: -2122.858516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2122.858516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2122.858516 (E_RNA) where: Base-Base interactions energy: -1430.955 where: short stacking energy: -579.416 Base-Backbone interact. energy: -1.917 local terms energy: -689.986749 where: bonds (distance) C4'-P energy: -126.914 bonds (distance) P-C4' energy: -139.240 flat angles C4'-P-C4' energy: -147.310 flat angles P-C4'-P energy: -85.822 tors. eta vs tors. theta energy: -190.700 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 112 Temperature: 0.950000 Total energy: -2028.081814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2028.081814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2028.081814 (E_RNA) where: Base-Base interactions energy: -1363.121 where: short stacking energy: -577.589 Base-Backbone interact. energy: -0.341 local terms energy: -664.619821 where: bonds (distance) C4'-P energy: -125.568 bonds (distance) P-C4' energy: -121.197 flat angles C4'-P-C4' energy: -147.654 flat angles P-C4'-P energy: -91.666 tors. eta vs tors. theta energy: -178.535 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: 6 ===================================== Write number: 112 Temperature: 1.000000 Total energy: -1943.739279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1943.739279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1943.739279 (E_RNA) where: Base-Base interactions energy: -1308.281 where: short stacking energy: -570.218 Base-Backbone interact. energy: 0.408 local terms energy: -635.865825 where: bonds (distance) C4'-P energy: -112.518 bonds (distance) P-C4' energy: -140.342 flat angles C4'-P-C4' energy: -129.714 flat angles P-C4'-P energy: -81.374 tors. eta vs tors. theta energy: -171.918 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: 4 ===================================== Write number: 112 Temperature: 1.050000 Total energy: -1789.690576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1789.690576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1789.690576 (E_RNA) where: Base-Base interactions energy: -1167.045 where: short stacking energy: -481.162 Base-Backbone interact. energy: 2.015 local terms energy: -624.660520 where: bonds (distance) C4'-P energy: -124.428 bonds (distance) P-C4' energy: -139.173 flat angles C4'-P-C4' energy: -130.537 flat angles P-C4'-P energy: -97.826 tors. eta vs tors. theta energy: -132.696 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 112 Temperature: 1.100000 Total energy: -1668.970974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1668.970974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1668.970974 (E_RNA) where: Base-Base interactions energy: -1066.772 where: short stacking energy: -434.405 Base-Backbone interact. energy: -3.725 local terms energy: -598.473963 where: bonds (distance) C4'-P energy: -124.431 bonds (distance) P-C4' energy: -126.845 flat angles C4'-P-C4' energy: -124.178 flat angles P-C4'-P energy: -78.656 tors. eta vs tors. theta energy: -144.364 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: 2 ===================================== Write number: 112 Temperature: 1.150000 Total energy: -1325.604947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1325.604947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1325.604947 (E_RNA) where: Base-Base interactions energy: -807.669 where: short stacking energy: -355.654 Base-Backbone interact. energy: 2.501 local terms energy: -520.436391 where: bonds (distance) C4'-P energy: -118.107 bonds (distance) P-C4' energy: -131.222 flat angles C4'-P-C4' energy: -130.700 flat angles P-C4'-P energy: -79.139 tors. eta vs tors. theta energy: -61.269 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: 7 ===================================== Write number: 112 Temperature: 1.200000 Total energy: -1149.850423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1149.850423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1149.850423 (E_RNA) where: Base-Base interactions energy: -680.268 where: short stacking energy: -324.476 Base-Backbone interact. energy: 5.771 local terms energy: -475.353550 where: bonds (distance) C4'-P energy: -123.684 bonds (distance) P-C4' energy: -112.769 flat angles C4'-P-C4' energy: -104.808 flat angles P-C4'-P energy: -71.098 tors. eta vs tors. theta energy: -62.995 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: 8, replica: 1 ===================================== Write number: 112 Temperature: 1.250000 Total energy: -728.335526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -728.335526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -728.335526 (E_RNA) where: Base-Base interactions energy: -340.769 where: short stacking energy: -205.989 Base-Backbone interact. energy: 0.066 local terms energy: -387.632728 where: bonds (distance) C4'-P energy: -124.032 bonds (distance) P-C4' energy: -110.410 flat angles C4'-P-C4' energy: -88.282 flat angles P-C4'-P energy: -62.541 tors. eta vs tors. theta energy: -2.368 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 112 Temperature: 1.300000 Total energy: -623.732459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -623.732459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -623.732459 (E_RNA) where: Base-Base interactions energy: -257.791 where: short stacking energy: -160.269 Base-Backbone interact. energy: -1.112 local terms energy: -364.829089 where: bonds (distance) C4'-P energy: -94.296 bonds (distance) P-C4' energy: -114.863 flat angles C4'-P-C4' energy: -112.738 flat angles P-C4'-P energy: -64.028 tors. eta vs tors. theta energy: 21.096 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: 3 ===================================== Write number: 112 Temperature: 1.350000 Total energy: -479.413315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -479.413315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -479.413315 (E_RNA) where: Base-Base interactions energy: -152.788 where: short stacking energy: -138.135 Base-Backbone interact. energy: 4.129 local terms energy: -330.754396 where: bonds (distance) C4'-P energy: -89.349 bonds (distance) P-C4' energy: -107.146 flat angles C4'-P-C4' energy: -89.803 flat angles P-C4'-P energy: -58.377 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: 1, replica: 10 ===================================== Write number: 113 Temperature: 0.900000 Total energy: -2109.156866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2109.156866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2109.156866 (E_RNA) where: Base-Base interactions energy: -1420.209 where: short stacking energy: -612.027 Base-Backbone interact. energy: 1.919 local terms energy: -690.866370 where: bonds (distance) C4'-P energy: -136.182 bonds (distance) P-C4' energy: -136.691 flat angles C4'-P-C4' energy: -139.847 flat angles P-C4'-P energy: -84.864 tors. eta vs tors. theta energy: -193.281 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: 2, replica: 5 ===================================== Write number: 113 Temperature: 0.950000 Total energy: -2068.775980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2068.775980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2068.775980 (E_RNA) where: Base-Base interactions energy: -1379.007 where: short stacking energy: -581.142 Base-Backbone interact. energy: -2.134 local terms energy: -687.634113 where: bonds (distance) C4'-P energy: -131.581 bonds (distance) P-C4' energy: -137.791 flat angles C4'-P-C4' energy: -133.324 flat angles P-C4'-P energy: -95.784 tors. eta vs tors. theta energy: -189.155 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 113 Temperature: 1.000000 Total energy: -1972.738229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1972.738229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1972.738229 (E_RNA) where: Base-Base interactions energy: -1325.341 where: short stacking energy: -553.208 Base-Backbone interact. energy: -2.699 local terms energy: -644.698158 where: bonds (distance) C4'-P energy: -120.326 bonds (distance) P-C4' energy: -129.204 flat angles C4'-P-C4' energy: -138.423 flat angles P-C4'-P energy: -92.702 tors. eta vs tors. theta energy: -164.043 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: 4 ===================================== Write number: 113 Temperature: 1.050000 Total energy: -1781.238153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1781.238153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1781.238153 (E_RNA) where: Base-Base interactions energy: -1171.746 where: short stacking energy: -470.147 Base-Backbone interact. energy: -2.162 local terms energy: -607.329926 where: bonds (distance) C4'-P energy: -126.148 bonds (distance) P-C4' energy: -139.044 flat angles C4'-P-C4' energy: -127.266 flat angles P-C4'-P energy: -75.256 tors. eta vs tors. theta energy: -139.616 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: 5, replica: 8 ===================================== Write number: 113 Temperature: 1.100000 Total energy: -1698.491691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1698.491691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1698.491691 (E_RNA) where: Base-Base interactions energy: -1121.849 where: short stacking energy: -492.551 Base-Backbone interact. energy: 5.112 local terms energy: -581.755483 where: bonds (distance) C4'-P energy: -91.461 bonds (distance) P-C4' energy: -131.815 flat angles C4'-P-C4' energy: -134.324 flat angles P-C4'-P energy: -86.046 tors. eta vs tors. theta energy: -138.109 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 113 Temperature: 1.150000 Total energy: -1353.402416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1353.402416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1353.402416 (E_RNA) where: Base-Base interactions energy: -860.922 where: short stacking energy: -375.440 Base-Backbone interact. energy: -1.634 local terms energy: -490.846080 where: bonds (distance) C4'-P energy: -100.544 bonds (distance) P-C4' energy: -112.205 flat angles C4'-P-C4' energy: -118.944 flat angles P-C4'-P energy: -79.744 tors. eta vs tors. theta energy: -79.409 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: 7 ===================================== Write number: 113 Temperature: 1.200000 Total energy: -1150.277857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1150.277857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1150.277857 (E_RNA) where: Base-Base interactions energy: -656.728 where: short stacking energy: -329.018 Base-Backbone interact. energy: -2.992 local terms energy: -490.557301 where: bonds (distance) C4'-P energy: -121.223 bonds (distance) P-C4' energy: -122.967 flat angles C4'-P-C4' energy: -133.661 flat angles P-C4'-P energy: -53.531 tors. eta vs tors. theta energy: -59.176 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 113 Temperature: 1.250000 Total energy: -766.596161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -766.596161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -766.596161 (E_RNA) where: Base-Base interactions energy: -366.022 where: short stacking energy: -209.735 Base-Backbone interact. energy: -2.089 local terms energy: -398.484991 where: bonds (distance) C4'-P energy: -107.516 bonds (distance) P-C4' energy: -119.531 flat angles C4'-P-C4' energy: -101.474 flat angles P-C4'-P energy: -57.365 tors. eta vs tors. theta energy: -12.599 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 113 Temperature: 1.300000 Total energy: -619.625797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -619.625797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -619.625797 (E_RNA) where: Base-Base interactions energy: -240.034 where: short stacking energy: -165.631 Base-Backbone interact. energy: 0.599 local terms energy: -380.190964 where: bonds (distance) C4'-P energy: -113.371 bonds (distance) P-C4' energy: -115.171 flat angles C4'-P-C4' energy: -97.503 flat angles P-C4'-P energy: -57.232 tors. eta vs tors. theta energy: 3.085 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 113 Temperature: 1.350000 Total energy: -497.317988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -497.317988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -497.317988 (E_RNA) where: Base-Base interactions energy: -156.047 where: short stacking energy: -116.666 Base-Backbone interact. energy: 2.496 local terms energy: -343.766708 where: bonds (distance) C4'-P energy: -108.002 bonds (distance) P-C4' energy: -116.990 flat angles C4'-P-C4' energy: -92.646 flat angles P-C4'-P energy: -57.706 tors. eta vs tors. theta energy: 31.577 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: 114 Temperature: 0.900000 Total energy: -2135.028851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2135.028851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2135.028851 (E_RNA) where: Base-Base interactions energy: -1442.082 where: short stacking energy: -604.943 Base-Backbone interact. energy: -3.670 local terms energy: -689.277134 where: bonds (distance) C4'-P energy: -131.654 bonds (distance) P-C4' energy: -132.543 flat angles C4'-P-C4' energy: -152.927 flat angles P-C4'-P energy: -93.893 tors. eta vs tors. theta energy: -178.259 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: 5 ===================================== Write number: 114 Temperature: 0.950000 Total energy: -2105.018031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2105.018031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2105.018031 (E_RNA) where: Base-Base interactions energy: -1438.679 where: short stacking energy: -602.992 Base-Backbone interact. energy: -3.476 local terms energy: -662.862844 where: bonds (distance) C4'-P energy: -109.484 bonds (distance) P-C4' energy: -119.724 flat angles C4'-P-C4' energy: -144.232 flat angles P-C4'-P energy: -104.399 tors. eta vs tors. theta energy: -185.023 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: 3, replica: 6 ===================================== Write number: 114 Temperature: 1.000000 Total energy: -1972.160112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1972.160112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1972.160112 (E_RNA) where: Base-Base interactions energy: -1349.871 where: short stacking energy: -562.177 Base-Backbone interact. energy: 2.450 local terms energy: -624.738865 where: bonds (distance) C4'-P energy: -114.088 bonds (distance) P-C4' energy: -112.433 flat angles C4'-P-C4' energy: -150.193 flat angles P-C4'-P energy: -84.676 tors. eta vs tors. theta energy: -163.350 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 114 Temperature: 1.050000 Total energy: -1824.829332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1824.829332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1824.829332 (E_RNA) where: Base-Base interactions energy: -1209.205 where: short stacking energy: -486.751 Base-Backbone interact. energy: -3.833 local terms energy: -611.791345 where: bonds (distance) C4'-P energy: -119.882 bonds (distance) P-C4' energy: -111.574 flat angles C4'-P-C4' energy: -141.286 flat angles P-C4'-P energy: -93.291 tors. eta vs tors. theta energy: -145.758 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 114 Temperature: 1.100000 Total energy: -1672.349384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1672.349384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1672.349384 (E_RNA) where: Base-Base interactions energy: -1116.462 where: short stacking energy: -466.521 Base-Backbone interact. energy: 0.074 local terms energy: -555.961988 where: bonds (distance) C4'-P energy: -121.548 bonds (distance) P-C4' energy: -113.840 flat angles C4'-P-C4' energy: -124.358 flat angles P-C4'-P energy: -73.059 tors. eta vs tors. theta energy: -123.156 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: 2 ===================================== Write number: 114 Temperature: 1.150000 Total energy: -1346.815265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1346.815265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1346.815265 (E_RNA) where: Base-Base interactions energy: -819.017 where: short stacking energy: -364.025 Base-Backbone interact. energy: 4.825 local terms energy: -532.622936 where: bonds (distance) C4'-P energy: -119.404 bonds (distance) P-C4' energy: -113.410 flat angles C4'-P-C4' energy: -130.783 flat angles P-C4'-P energy: -86.443 tors. eta vs tors. theta energy: -82.584 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 114 Temperature: 1.200000 Total energy: -1010.656208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1010.656208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1010.656208 (E_RNA) where: Base-Base interactions energy: -591.180 where: short stacking energy: -295.538 Base-Backbone interact. energy: 4.927 local terms energy: -424.402736 where: bonds (distance) C4'-P energy: -113.010 bonds (distance) P-C4' energy: -120.532 flat angles C4'-P-C4' energy: -101.143 flat angles P-C4'-P energy: -51.890 tors. eta vs tors. theta energy: -37.828 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: 114 Temperature: 1.250000 Total energy: -728.721011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -728.721011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -728.721011 (E_RNA) where: Base-Base interactions energy: -349.215 where: short stacking energy: -204.274 Base-Backbone interact. energy: -0.789 local terms energy: -378.717077 where: bonds (distance) C4'-P energy: -108.887 bonds (distance) P-C4' energy: -112.583 flat angles C4'-P-C4' energy: -103.630 flat angles P-C4'-P energy: -45.248 tors. eta vs tors. theta energy: -8.369 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 114 Temperature: 1.300000 Total energy: -620.819606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -620.819606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -620.819606 (E_RNA) where: Base-Base interactions energy: -248.455 where: short stacking energy: -154.221 Base-Backbone interact. energy: -0.620 local terms energy: -371.744464 where: bonds (distance) C4'-P energy: -113.775 bonds (distance) P-C4' energy: -109.185 flat angles C4'-P-C4' energy: -93.634 flat angles P-C4'-P energy: -60.136 tors. eta vs tors. theta energy: 4.986 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 114 Temperature: 1.350000 Total energy: -531.660418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -531.660418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -531.660418 (E_RNA) where: Base-Base interactions energy: -174.908 where: short stacking energy: -119.094 Base-Backbone interact. energy: 3.299 local terms energy: -360.051288 where: bonds (distance) C4'-P energy: -105.213 bonds (distance) P-C4' energy: -120.929 flat angles C4'-P-C4' energy: -91.765 flat angles P-C4'-P energy: -67.871 tors. eta vs tors. theta energy: 25.727 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: 10 ===================================== Write number: 115 Temperature: 0.900000 Total energy: -2133.594654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2133.594654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2133.594654 (E_RNA) where: Base-Base interactions energy: -1475.439 where: short stacking energy: -596.348 Base-Backbone interact. energy: 2.614 local terms energy: -660.769274 where: bonds (distance) C4'-P energy: -129.781 bonds (distance) P-C4' energy: -129.763 flat angles C4'-P-C4' energy: -132.790 flat angles P-C4'-P energy: -86.833 tors. eta vs tors. theta energy: -181.603 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 115 Temperature: 0.950000 Total energy: -2063.730314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2063.730314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2063.730314 (E_RNA) where: Base-Base interactions energy: -1377.664 where: short stacking energy: -591.919 Base-Backbone interact. energy: -0.841 local terms energy: -685.225609 where: bonds (distance) C4'-P energy: -126.616 bonds (distance) P-C4' energy: -133.999 flat angles C4'-P-C4' energy: -136.064 flat angles P-C4'-P energy: -104.729 tors. eta vs tors. theta energy: -183.817 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: 6 ===================================== Write number: 115 Temperature: 1.000000 Total energy: -2017.569252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2017.569252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2017.569252 (E_RNA) where: Base-Base interactions energy: -1368.743 where: short stacking energy: -585.662 Base-Backbone interact. energy: -2.372 local terms energy: -646.453779 where: bonds (distance) C4'-P energy: -121.606 bonds (distance) P-C4' energy: -123.673 flat angles C4'-P-C4' energy: -137.024 flat angles P-C4'-P energy: -95.788 tors. eta vs tors. theta energy: -168.363 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 115 Temperature: 1.050000 Total energy: -1786.538474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1786.538474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1786.538474 (E_RNA) where: Base-Base interactions energy: -1188.156 where: short stacking energy: -489.942 Base-Backbone interact. energy: -1.693 local terms energy: -596.689335 where: bonds (distance) C4'-P energy: -114.920 bonds (distance) P-C4' energy: -123.152 flat angles C4'-P-C4' energy: -132.182 flat angles P-C4'-P energy: -83.827 tors. eta vs tors. theta energy: -142.608 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: 8 ===================================== Write number: 115 Temperature: 1.100000 Total energy: -1739.082286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1739.082286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1739.082286 (E_RNA) where: Base-Base interactions energy: -1154.891 where: short stacking energy: -450.412 Base-Backbone interact. energy: -5.408 local terms energy: -578.783106 where: bonds (distance) C4'-P energy: -105.493 bonds (distance) P-C4' energy: -123.117 flat angles C4'-P-C4' energy: -124.332 flat angles P-C4'-P energy: -92.947 tors. eta vs tors. theta energy: -132.895 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 115 Temperature: 1.150000 Total energy: -1383.329700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1383.329700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1383.329700 (E_RNA) where: Base-Base interactions energy: -871.138 where: short stacking energy: -419.833 Base-Backbone interact. energy: 1.598 local terms energy: -513.789625 where: bonds (distance) C4'-P energy: -99.868 bonds (distance) P-C4' energy: -123.065 flat angles C4'-P-C4' energy: -120.134 flat angles P-C4'-P energy: -66.424 tors. eta vs tors. theta energy: -104.299 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 115 Temperature: 1.200000 Total energy: -974.534727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -974.534727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -974.534727 (E_RNA) where: Base-Base interactions energy: -555.261 where: short stacking energy: -270.994 Base-Backbone interact. energy: 4.056 local terms energy: -423.329508 where: bonds (distance) C4'-P energy: -121.191 bonds (distance) P-C4' energy: -122.053 flat angles C4'-P-C4' energy: -86.186 flat angles P-C4'-P energy: -55.682 tors. eta vs tors. theta energy: -38.218 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: 1 ===================================== Write number: 115 Temperature: 1.250000 Total energy: -753.147087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -753.147087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -753.147087 (E_RNA) where: Base-Base interactions energy: -363.322 where: short stacking energy: -211.234 Base-Backbone interact. energy: 5.164 local terms energy: -394.988969 where: bonds (distance) C4'-P energy: -105.281 bonds (distance) P-C4' energy: -110.062 flat angles C4'-P-C4' energy: -103.601 flat angles P-C4'-P energy: -53.639 tors. eta vs tors. theta energy: -22.405 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 115 Temperature: 1.300000 Total energy: -544.880727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -544.880727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -544.880727 (E_RNA) where: Base-Base interactions energy: -219.213 where: short stacking energy: -144.976 Base-Backbone interact. energy: 5.611 local terms energy: -331.277983 where: bonds (distance) C4'-P energy: -98.075 bonds (distance) P-C4' energy: -101.805 flat angles C4'-P-C4' energy: -104.760 flat angles P-C4'-P energy: -45.832 tors. eta vs tors. theta energy: 19.193 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 115 Temperature: 1.350000 Total energy: -469.788878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -469.788878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -469.788878 (E_RNA) where: Base-Base interactions energy: -133.991 where: short stacking energy: -97.101 Base-Backbone interact. energy: 0.290 local terms energy: -336.088192 where: bonds (distance) C4'-P energy: -122.368 bonds (distance) P-C4' energy: -117.226 flat angles C4'-P-C4' energy: -81.819 flat angles P-C4'-P energy: -43.502 tors. eta vs tors. theta energy: 28.826 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: 116 Temperature: 0.900000 Total energy: -2136.710471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2136.710471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2136.710471 (E_RNA) where: Base-Base interactions energy: -1454.284 where: short stacking energy: -576.567 Base-Backbone interact. energy: -3.270 local terms energy: -679.155987 where: bonds (distance) C4'-P energy: -127.179 bonds (distance) P-C4' energy: -135.616 flat angles C4'-P-C4' energy: -152.748 flat angles P-C4'-P energy: -85.086 tors. eta vs tors. theta energy: -178.527 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 116 Temperature: 0.950000 Total energy: -2067.523067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2067.523067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2067.523067 (E_RNA) where: Base-Base interactions energy: -1351.360 where: short stacking energy: -605.140 Base-Backbone interact. energy: -1.089 local terms energy: -715.073884 where: bonds (distance) C4'-P energy: -143.766 bonds (distance) P-C4' energy: -134.622 flat angles C4'-P-C4' energy: -139.595 flat angles P-C4'-P energy: -105.630 tors. eta vs tors. theta energy: -191.461 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 116 Temperature: 1.000000 Total energy: -2034.408991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2034.408991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2034.408991 (E_RNA) where: Base-Base interactions energy: -1396.865 where: short stacking energy: -592.946 Base-Backbone interact. energy: -0.199 local terms energy: -637.344804 where: bonds (distance) C4'-P energy: -118.058 bonds (distance) P-C4' energy: -116.259 flat angles C4'-P-C4' energy: -142.736 flat angles P-C4'-P energy: -89.815 tors. eta vs tors. theta energy: -170.477 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 116 Temperature: 1.050000 Total energy: -1817.489262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1817.489262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1817.489262 (E_RNA) where: Base-Base interactions energy: -1183.409 where: short stacking energy: -533.118 Base-Backbone interact. energy: -1.968 local terms energy: -632.112211 where: bonds (distance) C4'-P energy: -119.353 bonds (distance) P-C4' energy: -128.050 flat angles C4'-P-C4' energy: -134.927 flat angles P-C4'-P energy: -91.929 tors. eta vs tors. theta energy: -157.853 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: 8 ===================================== Write number: 116 Temperature: 1.100000 Total energy: -1735.845433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1735.845433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1735.845433 (E_RNA) where: Base-Base interactions energy: -1158.596 where: short stacking energy: -475.195 Base-Backbone interact. energy: -2.693 local terms energy: -574.556137 where: bonds (distance) C4'-P energy: -114.824 bonds (distance) P-C4' energy: -118.120 flat angles C4'-P-C4' energy: -120.416 flat angles P-C4'-P energy: -91.886 tors. eta vs tors. theta energy: -129.311 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 116 Temperature: 1.150000 Total energy: -1356.846745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1356.846745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1356.846745 (E_RNA) where: Base-Base interactions energy: -836.777 where: short stacking energy: -368.205 Base-Backbone interact. energy: -1.504 local terms energy: -518.566544 where: bonds (distance) C4'-P energy: -96.912 bonds (distance) P-C4' energy: -119.065 flat angles C4'-P-C4' energy: -121.440 flat angles P-C4'-P energy: -93.849 tors. eta vs tors. theta energy: -87.301 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 116 Temperature: 1.200000 Total energy: -811.910802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -811.910802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -811.910802 (E_RNA) where: Base-Base interactions energy: -408.559 where: short stacking energy: -217.049 Base-Backbone interact. energy: -0.747 local terms energy: -402.605466 where: bonds (distance) C4'-P energy: -114.177 bonds (distance) P-C4' energy: -101.466 flat angles C4'-P-C4' energy: -108.639 flat angles P-C4'-P energy: -70.056 tors. eta vs tors. theta energy: -8.268 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 116 Temperature: 1.250000 Total energy: -807.078161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -807.078161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -807.078161 (E_RNA) where: Base-Base interactions energy: -410.206 where: short stacking energy: -201.735 Base-Backbone interact. energy: -9.821 local terms energy: -387.051203 where: bonds (distance) C4'-P energy: -101.762 bonds (distance) P-C4' energy: -106.394 flat angles C4'-P-C4' energy: -98.044 flat angles P-C4'-P energy: -74.076 tors. eta vs tors. theta energy: -6.776 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 116 Temperature: 1.300000 Total energy: -517.937787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -517.937787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -517.937787 (E_RNA) where: Base-Base interactions energy: -208.978 where: short stacking energy: -150.130 Base-Backbone interact. energy: 2.456 local terms energy: -311.415459 where: bonds (distance) C4'-P energy: -93.449 bonds (distance) P-C4' energy: -109.091 flat angles C4'-P-C4' energy: -98.046 flat angles P-C4'-P energy: -39.311 tors. eta vs tors. theta energy: 28.482 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 116 Temperature: 1.350000 Total energy: -493.688152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -493.688152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -493.688152 (E_RNA) where: Base-Base interactions energy: -188.202 where: short stacking energy: -127.921 Base-Backbone interact. energy: -0.126 local terms energy: -305.360041 where: bonds (distance) C4'-P energy: -99.326 bonds (distance) P-C4' energy: -103.191 flat angles C4'-P-C4' energy: -82.528 flat angles P-C4'-P energy: -51.149 tors. eta vs tors. theta energy: 30.835 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: 117 Temperature: 0.900000 Total energy: -2139.533696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2139.533696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2139.533696 (E_RNA) where: Base-Base interactions energy: -1448.254 where: short stacking energy: -572.578 Base-Backbone interact. energy: -1.062 local terms energy: -690.217302 where: bonds (distance) C4'-P energy: -138.775 bonds (distance) P-C4' energy: -128.309 flat angles C4'-P-C4' energy: -152.433 flat angles P-C4'-P energy: -91.328 tors. eta vs tors. theta energy: -179.374 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 117 Temperature: 0.950000 Total energy: -2048.571382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2048.571382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2048.571382 (E_RNA) where: Base-Base interactions energy: -1342.359 where: short stacking energy: -593.281 Base-Backbone interact. energy: -2.750 local terms energy: -703.462074 where: bonds (distance) C4'-P energy: -144.358 bonds (distance) P-C4' energy: -143.426 flat angles C4'-P-C4' energy: -136.512 flat angles P-C4'-P energy: -103.103 tors. eta vs tors. theta energy: -176.063 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 117 Temperature: 1.000000 Total energy: -2036.304689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2036.304689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2036.304689 (E_RNA) where: Base-Base interactions energy: -1385.531 where: short stacking energy: -570.415 Base-Backbone interact. energy: -1.838 local terms energy: -648.935468 where: bonds (distance) C4'-P energy: -114.599 bonds (distance) P-C4' energy: -126.589 flat angles C4'-P-C4' energy: -140.347 flat angles P-C4'-P energy: -94.551 tors. eta vs tors. theta energy: -172.849 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 117 Temperature: 1.050000 Total energy: -1812.838456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1812.838456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1812.838456 (E_RNA) where: Base-Base interactions energy: -1206.934 where: short stacking energy: -510.506 Base-Backbone interact. energy: 3.517 local terms energy: -609.421715 where: bonds (distance) C4'-P energy: -121.133 bonds (distance) P-C4' energy: -127.297 flat angles C4'-P-C4' energy: -132.730 flat angles P-C4'-P energy: -83.266 tors. eta vs tors. theta energy: -144.995 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 117 Temperature: 1.100000 Total energy: -1721.113432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1721.113432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1721.113432 (E_RNA) where: Base-Base interactions energy: -1095.394 where: short stacking energy: -496.875 Base-Backbone interact. energy: -4.516 local terms energy: -621.202980 where: bonds (distance) C4'-P energy: -118.065 bonds (distance) P-C4' energy: -104.991 flat angles C4'-P-C4' energy: -142.763 flat angles P-C4'-P energy: -99.234 tors. eta vs tors. theta energy: -156.150 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 117 Temperature: 1.150000 Total energy: -1390.056718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1390.056718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1390.056718 (E_RNA) where: Base-Base interactions energy: -877.371 where: short stacking energy: -390.950 Base-Backbone interact. energy: -2.499 local terms energy: -510.186594 where: bonds (distance) C4'-P energy: -114.901 bonds (distance) P-C4' energy: -101.883 flat angles C4'-P-C4' energy: -117.157 flat angles P-C4'-P energy: -83.438 tors. eta vs tors. theta energy: -92.808 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: 1 ===================================== Write number: 117 Temperature: 1.200000 Total energy: -845.479174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -845.479174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -845.479174 (E_RNA) where: Base-Base interactions energy: -432.664 where: short stacking energy: -241.036 Base-Backbone interact. energy: -1.088 local terms energy: -411.727419 where: bonds (distance) C4'-P energy: -114.530 bonds (distance) P-C4' energy: -108.241 flat angles C4'-P-C4' energy: -117.531 flat angles P-C4'-P energy: -61.475 tors. eta vs tors. theta energy: -9.950 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 117 Temperature: 1.250000 Total energy: -856.392421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -856.392421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -856.392421 (E_RNA) where: Base-Base interactions energy: -455.381 where: short stacking energy: -213.076 Base-Backbone interact. energy: 5.114 local terms energy: -406.125641 where: bonds (distance) C4'-P energy: -110.212 bonds (distance) P-C4' energy: -118.814 flat angles C4'-P-C4' energy: -92.246 flat angles P-C4'-P energy: -68.397 tors. eta vs tors. theta energy: -16.457 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: 9, replica: 3 ===================================== Write number: 117 Temperature: 1.300000 Total energy: -535.756109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -535.756109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -535.756109 (E_RNA) where: Base-Base interactions energy: -206.291 where: short stacking energy: -141.845 Base-Backbone interact. energy: 4.874 local terms energy: -334.339430 where: bonds (distance) C4'-P energy: -96.207 bonds (distance) P-C4' energy: -112.911 flat angles C4'-P-C4' energy: -88.540 flat angles P-C4'-P energy: -62.851 tors. eta vs tors. theta energy: 26.170 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: 9 ===================================== Write number: 117 Temperature: 1.350000 Total energy: -516.650502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -516.650502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -516.650502 (E_RNA) where: Base-Base interactions energy: -216.469 where: short stacking energy: -115.136 Base-Backbone interact. energy: -1.975 local terms energy: -298.206032 where: bonds (distance) C4'-P energy: -117.940 bonds (distance) P-C4' energy: -95.579 flat angles C4'-P-C4' energy: -83.276 flat angles P-C4'-P energy: -47.957 tors. eta vs tors. theta energy: 46.547 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 118 Temperature: 0.900000 Total energy: -2120.129730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2120.129730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2120.129730 (E_RNA) where: Base-Base interactions energy: -1420.262 where: short stacking energy: -616.200 Base-Backbone interact. energy: 0.017 local terms energy: -699.885201 where: bonds (distance) C4'-P energy: -129.790 bonds (distance) P-C4' energy: -140.675 flat angles C4'-P-C4' energy: -149.513 flat angles P-C4'-P energy: -94.689 tors. eta vs tors. theta energy: -185.218 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 118 Temperature: 0.950000 Total energy: -2081.818755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2081.818755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2081.818755 (E_RNA) where: Base-Base interactions energy: -1388.813 where: short stacking energy: -619.573 Base-Backbone interact. energy: -1.315 local terms energy: -691.690132 where: bonds (distance) C4'-P energy: -131.225 bonds (distance) P-C4' energy: -118.912 flat angles C4'-P-C4' energy: -146.523 flat angles P-C4'-P energy: -113.251 tors. eta vs tors. theta energy: -181.779 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 118 Temperature: 1.000000 Total energy: -2009.177148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2009.177148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2009.177148 (E_RNA) where: Base-Base interactions energy: -1347.187 where: short stacking energy: -571.143 Base-Backbone interact. energy: -2.086 local terms energy: -659.904069 where: bonds (distance) C4'-P energy: -112.424 bonds (distance) P-C4' energy: -125.303 flat angles C4'-P-C4' energy: -148.292 flat angles P-C4'-P energy: -91.461 tors. eta vs tors. theta energy: -182.424 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: 4 ===================================== Write number: 118 Temperature: 1.050000 Total energy: -1750.797030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1750.797030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1750.797030 (E_RNA) where: Base-Base interactions energy: -1165.321 where: short stacking energy: -474.528 Base-Backbone interact. energy: -0.320 local terms energy: -585.155623 where: bonds (distance) C4'-P energy: -108.924 bonds (distance) P-C4' energy: -132.367 flat angles C4'-P-C4' energy: -138.122 flat angles P-C4'-P energy: -76.349 tors. eta vs tors. theta energy: -129.393 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 118 Temperature: 1.100000 Total energy: -1692.746490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1692.746490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1692.746490 (E_RNA) where: Base-Base interactions energy: -1094.890 where: short stacking energy: -463.306 Base-Backbone interact. energy: -2.911 local terms energy: -594.945634 where: bonds (distance) C4'-P energy: -124.170 bonds (distance) P-C4' energy: -125.169 flat angles C4'-P-C4' energy: -134.458 flat angles P-C4'-P energy: -72.060 tors. eta vs tors. theta energy: -139.089 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: 2 ===================================== Write number: 118 Temperature: 1.150000 Total energy: -1408.691182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1408.691182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1408.691182 (E_RNA) where: Base-Base interactions energy: -885.397 where: short stacking energy: -387.050 Base-Backbone interact. energy: -0.329 local terms energy: -522.965615 where: bonds (distance) C4'-P energy: -99.423 bonds (distance) P-C4' energy: -123.293 flat angles C4'-P-C4' energy: -135.003 flat angles P-C4'-P energy: -51.067 tors. eta vs tors. theta energy: -114.180 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: 118 Temperature: 1.200000 Total energy: -1028.422911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1028.422911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1028.422911 (E_RNA) where: Base-Base interactions energy: -566.170 where: short stacking energy: -264.976 Base-Backbone interact. energy: -4.688 local terms energy: -457.564864 where: bonds (distance) C4'-P energy: -107.617 bonds (distance) P-C4' energy: -115.287 flat angles C4'-P-C4' energy: -106.604 flat angles P-C4'-P energy: -70.152 tors. eta vs tors. theta energy: -57.905 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: 1 ===================================== Write number: 118 Temperature: 1.250000 Total energy: -838.020684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -838.020684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -838.020684 (E_RNA) where: Base-Base interactions energy: -453.142 where: short stacking energy: -222.900 Base-Backbone interact. energy: -1.642 local terms energy: -383.236541 where: bonds (distance) C4'-P energy: -101.560 bonds (distance) P-C4' energy: -116.230 flat angles C4'-P-C4' energy: -98.925 flat angles P-C4'-P energy: -62.964 tors. eta vs tors. theta energy: -3.558 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 118 Temperature: 1.300000 Total energy: -559.862639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -559.862639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -559.862639 (E_RNA) where: Base-Base interactions energy: -209.161 where: short stacking energy: -143.831 Base-Backbone interact. energy: 4.087 local terms energy: -354.788726 where: bonds (distance) C4'-P energy: -107.279 bonds (distance) P-C4' energy: -117.837 flat angles C4'-P-C4' energy: -113.231 flat angles P-C4'-P energy: -47.721 tors. eta vs tors. theta energy: 31.280 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: 9 ===================================== Write number: 118 Temperature: 1.350000 Total energy: -456.629236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -456.629236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -456.629236 (E_RNA) where: Base-Base interactions energy: -150.894 where: short stacking energy: -128.205 Base-Backbone interact. energy: 6.531 local terms energy: -312.265488 where: bonds (distance) C4'-P energy: -110.883 bonds (distance) P-C4' energy: -110.955 flat angles C4'-P-C4' energy: -75.894 flat angles P-C4'-P energy: -49.287 tors. eta vs tors. theta energy: 34.754 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: 10 ===================================== Write number: 119 Temperature: 0.900000 Total energy: -2112.586625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2112.586625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2112.586625 (E_RNA) where: Base-Base interactions energy: -1435.132 where: short stacking energy: -588.654 Base-Backbone interact. energy: -1.612 local terms energy: -675.842289 where: bonds (distance) C4'-P energy: -135.998 bonds (distance) P-C4' energy: -131.448 flat angles C4'-P-C4' energy: -136.715 flat angles P-C4'-P energy: -90.922 tors. eta vs tors. theta energy: -180.759 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 119 Temperature: 0.950000 Total energy: -2083.506859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2083.506859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2083.506859 (E_RNA) where: Base-Base interactions energy: -1384.647 where: short stacking energy: -583.130 Base-Backbone interact. energy: -1.663 local terms energy: -697.197169 where: bonds (distance) C4'-P energy: -127.290 bonds (distance) P-C4' energy: -144.296 flat angles C4'-P-C4' energy: -137.477 flat angles P-C4'-P energy: -105.746 tors. eta vs tors. theta energy: -182.388 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 119 Temperature: 1.000000 Total energy: -1998.146748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1998.146748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1998.146748 (E_RNA) where: Base-Base interactions energy: -1344.114 where: short stacking energy: -558.565 Base-Backbone interact. energy: -2.481 local terms energy: -651.552219 where: bonds (distance) C4'-P energy: -129.558 bonds (distance) P-C4' energy: -126.781 flat angles C4'-P-C4' energy: -139.845 flat angles P-C4'-P energy: -91.351 tors. eta vs tors. theta energy: -164.017 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: 4 ===================================== Write number: 119 Temperature: 1.050000 Total energy: -1748.813584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1748.813584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1748.813584 (E_RNA) where: Base-Base interactions energy: -1149.239 where: short stacking energy: -485.237 Base-Backbone interact. energy: -1.331 local terms energy: -598.243736 where: bonds (distance) C4'-P energy: -117.497 bonds (distance) P-C4' energy: -119.220 flat angles C4'-P-C4' energy: -137.339 flat angles P-C4'-P energy: -83.636 tors. eta vs tors. theta energy: -140.552 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: 5, replica: 8 ===================================== Write number: 119 Temperature: 1.100000 Total energy: -1723.786187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1723.786187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1723.786187 (E_RNA) where: Base-Base interactions energy: -1108.493 where: short stacking energy: -478.379 Base-Backbone interact. energy: 3.779 local terms energy: -619.072669 where: bonds (distance) C4'-P energy: -131.533 bonds (distance) P-C4' energy: -125.837 flat angles C4'-P-C4' energy: -130.318 flat angles P-C4'-P energy: -89.353 tors. eta vs tors. theta energy: -142.032 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 119 Temperature: 1.150000 Total energy: -1442.711273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1442.711273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1442.711273 (E_RNA) where: Base-Base interactions energy: -943.387 where: short stacking energy: -406.942 Base-Backbone interact. energy: -3.767 local terms energy: -495.558161 where: bonds (distance) C4'-P energy: -101.574 bonds (distance) P-C4' energy: -102.028 flat angles C4'-P-C4' energy: -132.683 flat angles P-C4'-P energy: -61.133 tors. eta vs tors. theta energy: -98.139 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 119 Temperature: 1.200000 Total energy: -1041.571524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1041.571524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1041.571524 (E_RNA) where: Base-Base interactions energy: -591.730 where: short stacking energy: -296.678 Base-Backbone interact. energy: 2.691 local terms energy: -452.531961 where: bonds (distance) C4'-P energy: -98.540 bonds (distance) P-C4' energy: -122.090 flat angles C4'-P-C4' energy: -110.689 flat angles P-C4'-P energy: -59.991 tors. eta vs tors. theta energy: -61.221 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 119 Temperature: 1.250000 Total energy: -813.811257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -813.811257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -813.811257 (E_RNA) where: Base-Base interactions energy: -439.605 where: short stacking energy: -221.615 Base-Backbone interact. energy: -4.177 local terms energy: -370.028696 where: bonds (distance) C4'-P energy: -91.969 bonds (distance) P-C4' energy: -126.798 flat angles C4'-P-C4' energy: -89.396 flat angles P-C4'-P energy: -59.173 tors. eta vs tors. theta energy: -2.692 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 119 Temperature: 1.300000 Total energy: -539.115371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -539.115371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -539.115371 (E_RNA) where: Base-Base interactions energy: -187.213 where: short stacking energy: -140.955 Base-Backbone interact. energy: -1.607 local terms energy: -350.294701 where: bonds (distance) C4'-P energy: -126.661 bonds (distance) P-C4' energy: -117.836 flat angles C4'-P-C4' energy: -90.756 flat angles P-C4'-P energy: -47.306 tors. eta vs tors. theta energy: 32.265 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: 10, replica: 9 ===================================== Write number: 119 Temperature: 1.350000 Total energy: -498.029072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -498.029072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -498.029072 (E_RNA) where: Base-Base interactions energy: -186.048 where: short stacking energy: -161.665 Base-Backbone interact. energy: -0.012 local terms energy: -311.969893 where: bonds (distance) C4'-P energy: -101.049 bonds (distance) P-C4' energy: -107.328 flat angles C4'-P-C4' energy: -99.690 flat angles P-C4'-P energy: -34.354 tors. eta vs tors. theta energy: 30.452 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 120 Temperature: 0.900000 Total energy: -2154.911352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2154.911352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2154.911352 (E_RNA) where: Base-Base interactions energy: -1477.155 where: short stacking energy: -610.740 Base-Backbone interact. energy: -3.838 local terms energy: -673.919107 where: bonds (distance) C4'-P energy: -136.783 bonds (distance) P-C4' energy: -121.157 flat angles C4'-P-C4' energy: -153.811 flat angles P-C4'-P energy: -85.544 tors. eta vs tors. theta energy: -176.624 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: 2, replica: 5 ===================================== Write number: 120 Temperature: 0.950000 Total energy: -2043.126331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2043.126331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2043.126331 (E_RNA) where: Base-Base interactions energy: -1380.499 where: short stacking energy: -590.726 Base-Backbone interact. energy: -3.739 local terms energy: -658.888139 where: bonds (distance) C4'-P energy: -133.393 bonds (distance) P-C4' energy: -120.403 flat angles C4'-P-C4' energy: -140.834 flat angles P-C4'-P energy: -83.394 tors. eta vs tors. theta energy: -180.864 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: 3, replica: 6 ===================================== Write number: 120 Temperature: 1.000000 Total energy: -2034.093061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2034.093061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2034.093061 (E_RNA) where: Base-Base interactions energy: -1363.825 where: short stacking energy: -562.782 Base-Backbone interact. energy: 0.766 local terms energy: -671.033934 where: bonds (distance) C4'-P energy: -137.284 bonds (distance) P-C4' energy: -126.210 flat angles C4'-P-C4' energy: -131.979 flat angles P-C4'-P energy: -96.375 tors. eta vs tors. theta energy: -179.187 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 120 Temperature: 1.050000 Total energy: -1830.853937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1830.853937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1830.853937 (E_RNA) where: Base-Base interactions energy: -1189.059 where: short stacking energy: -528.453 Base-Backbone interact. energy: -1.644 local terms energy: -640.151383 where: bonds (distance) C4'-P energy: -132.122 bonds (distance) P-C4' energy: -119.740 flat angles C4'-P-C4' energy: -139.082 flat angles P-C4'-P energy: -88.833 tors. eta vs tors. theta energy: -160.375 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 120 Temperature: 1.100000 Total energy: -1748.650390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1748.650390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1748.650390 (E_RNA) where: Base-Base interactions energy: -1131.382 where: short stacking energy: -510.870 Base-Backbone interact. energy: 4.105 local terms energy: -621.373951 where: bonds (distance) C4'-P energy: -115.965 bonds (distance) P-C4' energy: -136.882 flat angles C4'-P-C4' energy: -127.325 flat angles P-C4'-P energy: -84.279 tors. eta vs tors. theta energy: -156.922 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 120 Temperature: 1.150000 Total energy: -1452.558678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1452.558678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1452.558678 (E_RNA) where: Base-Base interactions energy: -927.326 where: short stacking energy: -418.665 Base-Backbone interact. energy: -0.825 local terms energy: -524.406853 where: bonds (distance) C4'-P energy: -100.682 bonds (distance) P-C4' energy: -125.906 flat angles C4'-P-C4' energy: -128.750 flat angles P-C4'-P energy: -64.041 tors. eta vs tors. theta energy: -105.027 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 120 Temperature: 1.200000 Total energy: -1033.481423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1033.481423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1033.481423 (E_RNA) where: Base-Base interactions energy: -577.539 where: short stacking energy: -311.245 Base-Backbone interact. energy: -0.180 local terms energy: -455.762473 where: bonds (distance) C4'-P energy: -113.797 bonds (distance) P-C4' energy: -104.284 flat angles C4'-P-C4' energy: -116.309 flat angles P-C4'-P energy: -68.093 tors. eta vs tors. theta energy: -53.279 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: 120 Temperature: 1.250000 Total energy: -771.362037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -771.362037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -771.362037 (E_RNA) where: Base-Base interactions energy: -369.797 where: short stacking energy: -223.697 Base-Backbone interact. energy: -2.653 local terms energy: -398.912012 where: bonds (distance) C4'-P energy: -102.436 bonds (distance) P-C4' energy: -113.617 flat angles C4'-P-C4' energy: -93.324 flat angles P-C4'-P energy: -67.239 tors. eta vs tors. theta energy: -22.296 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 120 Temperature: 1.300000 Total energy: -538.974167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -538.974167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -538.974167 (E_RNA) where: Base-Base interactions energy: -179.932 where: short stacking energy: -149.664 Base-Backbone interact. energy: -2.248 local terms energy: -356.794583 where: bonds (distance) C4'-P energy: -98.911 bonds (distance) P-C4' energy: -111.031 flat angles C4'-P-C4' energy: -86.983 flat angles P-C4'-P energy: -64.778 tors. eta vs tors. theta energy: 4.909 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 120 Temperature: 1.350000 Total energy: -523.475274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -523.475274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -523.475274 (E_RNA) where: Base-Base interactions energy: -184.381 where: short stacking energy: -159.034 Base-Backbone interact. energy: -1.885 local terms energy: -337.208648 where: bonds (distance) C4'-P energy: -106.596 bonds (distance) P-C4' energy: -103.178 flat angles C4'-P-C4' energy: -87.358 flat angles P-C4'-P energy: -54.558 tors. eta vs tors. theta energy: 14.481 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 121 Temperature: 0.900000 Total energy: -2167.880216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2167.880216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2167.880216 (E_RNA) where: Base-Base interactions energy: -1443.728 where: short stacking energy: -591.900 Base-Backbone interact. energy: -3.176 local terms energy: -720.975630 where: bonds (distance) C4'-P energy: -140.695 bonds (distance) P-C4' energy: -152.750 flat angles C4'-P-C4' energy: -155.904 flat angles P-C4'-P energy: -84.359 tors. eta vs tors. theta energy: -187.268 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: 5 ===================================== Write number: 121 Temperature: 0.950000 Total energy: -2042.471408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2042.471408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2042.471408 (E_RNA) where: Base-Base interactions energy: -1365.155 where: short stacking energy: -591.891 Base-Backbone interact. energy: -3.950 local terms energy: -673.366436 where: bonds (distance) C4'-P energy: -120.145 bonds (distance) P-C4' energy: -141.901 flat angles C4'-P-C4' energy: -151.452 flat angles P-C4'-P energy: -77.977 tors. eta vs tors. theta energy: -181.892 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 121 Temperature: 1.000000 Total energy: -2054.573979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2054.573979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2054.573979 (E_RNA) where: Base-Base interactions energy: -1378.990 where: short stacking energy: -593.640 Base-Backbone interact. energy: 1.736 local terms energy: -677.320603 where: bonds (distance) C4'-P energy: -111.025 bonds (distance) P-C4' energy: -135.111 flat angles C4'-P-C4' energy: -149.302 flat angles P-C4'-P energy: -87.016 tors. eta vs tors. theta energy: -194.867 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 121 Temperature: 1.050000 Total energy: -1763.102061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1763.102061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1763.102061 (E_RNA) where: Base-Base interactions energy: -1150.653 where: short stacking energy: -475.201 Base-Backbone interact. energy: -3.060 local terms energy: -609.389281 where: bonds (distance) C4'-P energy: -117.537 bonds (distance) P-C4' energy: -122.718 flat angles C4'-P-C4' energy: -128.867 flat angles P-C4'-P energy: -86.997 tors. eta vs tors. theta energy: -153.270 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: 8 ===================================== Write number: 121 Temperature: 1.100000 Total energy: -1732.735362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1732.735362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1732.735362 (E_RNA) where: Base-Base interactions energy: -1144.189 where: short stacking energy: -504.039 Base-Backbone interact. energy: 3.332 local terms energy: -591.878344 where: bonds (distance) C4'-P energy: -119.773 bonds (distance) P-C4' energy: -114.235 flat angles C4'-P-C4' energy: -138.023 flat angles P-C4'-P energy: -70.576 tors. eta vs tors. theta energy: -149.271 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 121 Temperature: 1.150000 Total energy: -1502.666534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1502.666534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1502.666534 (E_RNA) where: Base-Base interactions energy: -966.783 where: short stacking energy: -416.776 Base-Backbone interact. energy: 7.670 local terms energy: -543.553608 where: bonds (distance) C4'-P energy: -114.032 bonds (distance) P-C4' energy: -128.634 flat angles C4'-P-C4' energy: -113.810 flat angles P-C4'-P energy: -84.652 tors. eta vs tors. theta energy: -102.425 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 121 Temperature: 1.200000 Total energy: -1116.697250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1116.697250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1116.697250 (E_RNA) where: Base-Base interactions energy: -623.906 where: short stacking energy: -286.380 Base-Backbone interact. energy: -0.325 local terms energy: -492.466279 where: bonds (distance) C4'-P energy: -111.151 bonds (distance) P-C4' energy: -130.255 flat angles C4'-P-C4' energy: -120.605 flat angles P-C4'-P energy: -80.712 tors. eta vs tors. theta energy: -49.744 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 121 Temperature: 1.250000 Total energy: -797.327959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -797.327959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -797.327959 (E_RNA) where: Base-Base interactions energy: -382.306 where: short stacking energy: -199.062 Base-Backbone interact. energy: -1.750 local terms energy: -413.271904 where: bonds (distance) C4'-P energy: -122.470 bonds (distance) P-C4' energy: -128.889 flat angles C4'-P-C4' energy: -111.902 flat angles P-C4'-P energy: -50.484 tors. eta vs tors. theta energy: 0.473 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 121 Temperature: 1.300000 Total energy: -581.349627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -581.349627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -581.349627 (E_RNA) where: Base-Base interactions energy: -221.414 where: short stacking energy: -133.688 Base-Backbone interact. energy: 3.082 local terms energy: -363.017863 where: bonds (distance) C4'-P energy: -114.593 bonds (distance) P-C4' energy: -126.891 flat angles C4'-P-C4' energy: -101.466 flat angles P-C4'-P energy: -52.706 tors. eta vs tors. theta energy: 32.639 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: 3 ===================================== Write number: 121 Temperature: 1.350000 Total energy: -486.368641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -486.368641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -486.368641 (E_RNA) where: Base-Base interactions energy: -190.023 where: short stacking energy: -127.430 Base-Backbone interact. energy: 11.176 local terms energy: -307.520918 where: bonds (distance) C4'-P energy: -108.286 bonds (distance) P-C4' energy: -101.899 flat angles C4'-P-C4' energy: -91.264 flat angles P-C4'-P energy: -28.800 tors. eta vs tors. theta energy: 22.728 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: 1, replica: 10 ===================================== Write number: 122 Temperature: 0.900000 Total energy: -2168.002435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2168.002435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2168.002435 (E_RNA) where: Base-Base interactions energy: -1459.836 where: short stacking energy: -597.932 Base-Backbone interact. energy: -2.028 local terms energy: -706.139188 where: bonds (distance) C4'-P energy: -137.563 bonds (distance) P-C4' energy: -135.336 flat angles C4'-P-C4' energy: -143.602 flat angles P-C4'-P energy: -105.112 tors. eta vs tors. theta energy: -184.526 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: 2, replica: 5 ===================================== Write number: 122 Temperature: 0.950000 Total energy: -2025.189080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2025.189080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2025.189080 (E_RNA) where: Base-Base interactions energy: -1363.586 where: short stacking energy: -607.365 Base-Backbone interact. energy: -2.780 local terms energy: -658.823341 where: bonds (distance) C4'-P energy: -118.588 bonds (distance) P-C4' energy: -107.276 flat angles C4'-P-C4' energy: -148.219 flat angles P-C4'-P energy: -89.458 tors. eta vs tors. theta energy: -195.283 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 122 Temperature: 1.000000 Total energy: -2004.129884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2004.129884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2004.129884 (E_RNA) where: Base-Base interactions energy: -1329.574 where: short stacking energy: -547.956 Base-Backbone interact. energy: -1.193 local terms energy: -673.362446 where: bonds (distance) C4'-P energy: -126.944 bonds (distance) P-C4' energy: -129.831 flat angles C4'-P-C4' energy: -138.022 flat angles P-C4'-P energy: -102.467 tors. eta vs tors. theta energy: -176.099 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 122 Temperature: 1.050000 Total energy: -1780.473158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1780.473158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1780.473158 (E_RNA) where: Base-Base interactions energy: -1160.939 where: short stacking energy: -488.162 Base-Backbone interact. energy: -1.487 local terms energy: -618.047633 where: bonds (distance) C4'-P energy: -120.264 bonds (distance) P-C4' energy: -122.991 flat angles C4'-P-C4' energy: -135.829 flat angles P-C4'-P energy: -88.722 tors. eta vs tors. theta energy: -150.242 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: 5, replica: 8 ===================================== Write number: 122 Temperature: 1.100000 Total energy: -1706.270782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1706.270782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1706.270782 (E_RNA) where: Base-Base interactions energy: -1097.939 where: short stacking energy: -474.288 Base-Backbone interact. energy: -0.816 local terms energy: -607.515977 where: bonds (distance) C4'-P energy: -127.318 bonds (distance) P-C4' energy: -124.368 flat angles C4'-P-C4' energy: -134.870 flat angles P-C4'-P energy: -67.202 tors. eta vs tors. theta energy: -153.758 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: 6, replica: 2 ===================================== Write number: 122 Temperature: 1.150000 Total energy: -1516.787040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1516.787040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1516.787040 (E_RNA) where: Base-Base interactions energy: -939.342 where: short stacking energy: -414.211 Base-Backbone interact. energy: 0.439 local terms energy: -577.883650 where: bonds (distance) C4'-P energy: -105.890 bonds (distance) P-C4' energy: -132.024 flat angles C4'-P-C4' energy: -133.746 flat angles P-C4'-P energy: -87.902 tors. eta vs tors. theta energy: -118.321 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: 122 Temperature: 1.200000 Total energy: -1028.618870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1028.618870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1028.618870 (E_RNA) where: Base-Base interactions energy: -599.662 where: short stacking energy: -289.773 Base-Backbone interact. energy: 1.817 local terms energy: -430.869247 where: bonds (distance) C4'-P energy: -101.646 bonds (distance) P-C4' energy: -116.137 flat angles C4'-P-C4' energy: -117.346 flat angles P-C4'-P energy: -57.317 tors. eta vs tors. theta energy: -38.423 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.094 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 122 Temperature: 1.250000 Total energy: -746.317727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -746.317727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -746.317727 (E_RNA) where: Base-Base interactions energy: -341.119 where: short stacking energy: -177.205 Base-Backbone interact. energy: 0.451 local terms energy: -405.648894 where: bonds (distance) C4'-P energy: -118.377 bonds (distance) P-C4' energy: -114.354 flat angles C4'-P-C4' energy: -110.930 flat angles P-C4'-P energy: -67.491 tors. eta vs tors. theta energy: 5.503 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 122 Temperature: 1.300000 Total energy: -526.410123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -526.410123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.410123 (E_RNA) where: Base-Base interactions energy: -173.130 where: short stacking energy: -142.424 Base-Backbone interact. energy: -0.729 local terms energy: -352.551487 where: bonds (distance) C4'-P energy: -114.441 bonds (distance) P-C4' energy: -103.049 flat angles C4'-P-C4' energy: -88.885 flat angles P-C4'-P energy: -48.947 tors. eta vs tors. theta energy: 2.770 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: 9 ===================================== Write number: 122 Temperature: 1.350000 Total energy: -496.745830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -496.745830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -496.745830 (E_RNA) where: Base-Base interactions energy: -177.210 where: short stacking energy: -129.233 Base-Backbone interact. energy: 2.274 local terms energy: -321.809763 where: bonds (distance) C4'-P energy: -106.667 bonds (distance) P-C4' energy: -94.763 flat angles C4'-P-C4' energy: -102.629 flat angles P-C4'-P energy: -64.140 tors. eta vs tors. theta energy: 46.390 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: 10 ===================================== Write number: 123 Temperature: 0.900000 Total energy: -2159.269367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2159.269367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2159.269367 (E_RNA) where: Base-Base interactions energy: -1455.008 where: short stacking energy: -616.688 Base-Backbone interact. energy: -2.468 local terms energy: -701.792550 where: bonds (distance) C4'-P energy: -141.626 bonds (distance) P-C4' energy: -122.101 flat angles C4'-P-C4' energy: -141.824 flat angles P-C4'-P energy: -93.756 tors. eta vs tors. theta energy: -202.485 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 123 Temperature: 0.950000 Total energy: -2058.415067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2058.415067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2058.415067 (E_RNA) where: Base-Base interactions energy: -1396.120 where: short stacking energy: -563.846 Base-Backbone interact. energy: -2.830 local terms energy: -659.465840 where: bonds (distance) C4'-P energy: -113.602 bonds (distance) P-C4' energy: -150.041 flat angles C4'-P-C4' energy: -127.913 flat angles P-C4'-P energy: -93.822 tors. eta vs tors. theta energy: -174.088 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 123 Temperature: 1.000000 Total energy: -1994.190736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1994.190736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1994.190736 (E_RNA) where: Base-Base interactions energy: -1335.971 where: short stacking energy: -593.411 Base-Backbone interact. energy: -2.528 local terms energy: -655.691596 where: bonds (distance) C4'-P energy: -127.012 bonds (distance) P-C4' energy: -121.610 flat angles C4'-P-C4' energy: -120.066 flat angles P-C4'-P energy: -95.057 tors. eta vs tors. theta energy: -191.946 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 123 Temperature: 1.050000 Total energy: -1797.758544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1797.758544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1797.758544 (E_RNA) where: Base-Base interactions energy: -1166.760 where: short stacking energy: -489.149 Base-Backbone interact. energy: 0.647 local terms energy: -631.646203 where: bonds (distance) C4'-P energy: -122.843 bonds (distance) P-C4' energy: -132.206 flat angles C4'-P-C4' energy: -139.092 flat angles P-C4'-P energy: -96.550 tors. eta vs tors. theta energy: -140.956 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 123 Temperature: 1.100000 Total energy: -1623.571054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1623.571054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1623.571054 (E_RNA) where: Base-Base interactions energy: -1031.228 where: short stacking energy: -455.681 Base-Backbone interact. energy: 0.169 local terms energy: -592.512853 where: bonds (distance) C4'-P energy: -113.244 bonds (distance) P-C4' energy: -123.247 flat angles C4'-P-C4' energy: -140.369 flat angles P-C4'-P energy: -78.511 tors. eta vs tors. theta energy: -137.141 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 123 Temperature: 1.150000 Total energy: -1518.854048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1518.854048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1518.854048 (E_RNA) where: Base-Base interactions energy: -961.808 where: short stacking energy: -392.615 Base-Backbone interact. energy: -2.180 local terms energy: -554.866312 where: bonds (distance) C4'-P energy: -127.810 bonds (distance) P-C4' energy: -126.444 flat angles C4'-P-C4' energy: -108.208 flat angles P-C4'-P energy: -80.991 tors. eta vs tors. theta energy: -111.414 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: 7 ===================================== Write number: 123 Temperature: 1.200000 Total energy: -969.686446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -969.686446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -969.686446 (E_RNA) where: Base-Base interactions energy: -511.370 where: short stacking energy: -249.303 Base-Backbone interact. energy: 1.256 local terms energy: -459.573096 where: bonds (distance) C4'-P energy: -121.452 bonds (distance) P-C4' energy: -125.560 flat angles C4'-P-C4' energy: -107.503 flat angles P-C4'-P energy: -78.561 tors. eta vs tors. theta energy: -26.498 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 123 Temperature: 1.250000 Total energy: -817.990504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -817.990504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -817.990504 (E_RNA) where: Base-Base interactions energy: -425.917 where: short stacking energy: -238.315 Base-Backbone interact. energy: -0.183 local terms energy: -391.890415 where: bonds (distance) C4'-P energy: -100.719 bonds (distance) P-C4' energy: -102.460 flat angles C4'-P-C4' energy: -103.929 flat angles P-C4'-P energy: -59.838 tors. eta vs tors. theta energy: -24.944 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: 3 ===================================== Write number: 123 Temperature: 1.300000 Total energy: -497.413106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -497.413106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -497.413106 (E_RNA) where: Base-Base interactions energy: -141.156 where: short stacking energy: -134.120 Base-Backbone interact. energy: -0.605 local terms energy: -355.652089 where: bonds (distance) C4'-P energy: -85.333 bonds (distance) P-C4' energy: -124.551 flat angles C4'-P-C4' energy: -103.232 flat angles P-C4'-P energy: -66.123 tors. eta vs tors. theta energy: 23.588 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 123 Temperature: 1.350000 Total energy: -533.615066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -533.615066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -533.615066 (E_RNA) where: Base-Base interactions energy: -210.482 where: short stacking energy: -131.389 Base-Backbone interact. energy: 0.843 local terms energy: -323.976645 where: bonds (distance) C4'-P energy: -108.091 bonds (distance) P-C4' energy: -104.186 flat angles C4'-P-C4' energy: -78.390 flat angles P-C4'-P energy: -56.891 tors. eta vs tors. theta energy: 23.581 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 124 Temperature: 0.900000 Total energy: -2149.267233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2149.267233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2149.267233 (E_RNA) where: Base-Base interactions energy: -1468.287 where: short stacking energy: -620.188 Base-Backbone interact. energy: -0.210 local terms energy: -680.770311 where: bonds (distance) C4'-P energy: -125.318 bonds (distance) P-C4' energy: -118.767 flat angles C4'-P-C4' energy: -157.926 flat angles P-C4'-P energy: -100.071 tors. eta vs tors. theta energy: -178.689 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: 6 ===================================== Write number: 124 Temperature: 0.950000 Total energy: -2080.004262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2080.004262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2080.004262 (E_RNA) where: Base-Base interactions energy: -1407.888 where: short stacking energy: -562.928 Base-Backbone interact. energy: -0.525 local terms energy: -671.591760 where: bonds (distance) C4'-P energy: -132.374 bonds (distance) P-C4' energy: -133.830 flat angles C4'-P-C4' energy: -135.388 flat angles P-C4'-P energy: -100.792 tors. eta vs tors. theta energy: -169.208 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: 5 ===================================== Write number: 124 Temperature: 1.000000 Total energy: -1950.939742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1950.939742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1950.939742 (E_RNA) where: Base-Base interactions energy: -1284.739 where: short stacking energy: -565.573 Base-Backbone interact. energy: -3.401 local terms energy: -662.799952 where: bonds (distance) C4'-P energy: -113.245 bonds (distance) P-C4' energy: -129.829 flat angles C4'-P-C4' energy: -145.274 flat angles P-C4'-P energy: -100.041 tors. eta vs tors. theta energy: -174.411 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: 4 ===================================== Write number: 124 Temperature: 1.050000 Total energy: -1832.623553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1832.623553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1832.623553 (E_RNA) where: Base-Base interactions energy: -1251.970 where: short stacking energy: -482.153 Base-Backbone interact. energy: 2.777 local terms energy: -583.430628 where: bonds (distance) C4'-P energy: -119.296 bonds (distance) P-C4' energy: -118.093 flat angles C4'-P-C4' energy: -130.066 flat angles P-C4'-P energy: -83.690 tors. eta vs tors. theta energy: -132.285 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: 8 ===================================== Write number: 124 Temperature: 1.100000 Total energy: -1642.351925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1642.351925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1642.351925 (E_RNA) where: Base-Base interactions energy: -1050.140 where: short stacking energy: -457.010 Base-Backbone interact. energy: -2.281 local terms energy: -589.930798 where: bonds (distance) C4'-P energy: -115.047 bonds (distance) P-C4' energy: -131.107 flat angles C4'-P-C4' energy: -124.548 flat angles P-C4'-P energy: -93.077 tors. eta vs tors. theta energy: -126.152 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: 2 ===================================== Write number: 124 Temperature: 1.150000 Total energy: -1460.826024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1460.826024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1460.826024 (E_RNA) where: Base-Base interactions energy: -954.865 where: short stacking energy: -379.885 Base-Backbone interact. energy: -3.382 local terms energy: -502.578780 where: bonds (distance) C4'-P energy: -101.037 bonds (distance) P-C4' energy: -125.666 flat angles C4'-P-C4' energy: -120.221 flat angles P-C4'-P energy: -73.956 tors. eta vs tors. theta energy: -81.698 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 124 Temperature: 1.200000 Total energy: -1038.003204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1038.003204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1038.003204 (E_RNA) where: Base-Base interactions energy: -587.521 where: short stacking energy: -274.189 Base-Backbone interact. energy: 1.942 local terms energy: -452.424897 where: bonds (distance) C4'-P energy: -121.025 bonds (distance) P-C4' energy: -124.743 flat angles C4'-P-C4' energy: -90.352 flat angles P-C4'-P energy: -76.219 tors. eta vs tors. theta energy: -40.085 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 124 Temperature: 1.250000 Total energy: -778.862532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -778.862532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -778.862532 (E_RNA) where: Base-Base interactions energy: -398.498 where: short stacking energy: -214.462 Base-Backbone interact. energy: 4.135 local terms energy: -384.499054 where: bonds (distance) C4'-P energy: -104.356 bonds (distance) P-C4' energy: -116.607 flat angles C4'-P-C4' energy: -86.365 flat angles P-C4'-P energy: -61.762 tors. eta vs tors. theta energy: -15.408 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: 9, replica: 9 ===================================== Write number: 124 Temperature: 1.300000 Total energy: -586.316959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -586.316959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -586.316959 (E_RNA) where: Base-Base interactions energy: -224.832 where: short stacking energy: -154.650 Base-Backbone interact. energy: 1.867 local terms energy: -363.352294 where: bonds (distance) C4'-P energy: -95.531 bonds (distance) P-C4' energy: -127.651 flat angles C4'-P-C4' energy: -100.710 flat angles P-C4'-P energy: -49.997 tors. eta vs tors. theta energy: 10.537 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 124 Temperature: 1.350000 Total energy: -509.335561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -509.335561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -509.335561 (E_RNA) where: Base-Base interactions energy: -173.363 where: short stacking energy: -132.691 Base-Backbone interact. energy: 3.197 local terms energy: -339.169257 where: bonds (distance) C4'-P energy: -112.176 bonds (distance) P-C4' energy: -118.606 flat angles C4'-P-C4' energy: -82.314 flat angles P-C4'-P energy: -41.721 tors. eta vs tors. theta energy: 15.647 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 125 Temperature: 0.900000 Total energy: -2169.094994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2169.094994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2169.094994 (E_RNA) where: Base-Base interactions energy: -1502.193 where: short stacking energy: -626.613 Base-Backbone interact. energy: -0.464 local terms energy: -666.518579 where: bonds (distance) C4'-P energy: -118.260 bonds (distance) P-C4' energy: -132.639 flat angles C4'-P-C4' energy: -149.607 flat angles P-C4'-P energy: -85.651 tors. eta vs tors. theta energy: -180.361 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.080 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 125 Temperature: 0.950000 Total energy: -2109.364422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2109.364422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2109.364422 (E_RNA) where: Base-Base interactions energy: -1429.934 where: short stacking energy: -564.442 Base-Backbone interact. energy: -1.424 local terms energy: -678.006180 where: bonds (distance) C4'-P energy: -119.397 bonds (distance) P-C4' energy: -144.671 flat angles C4'-P-C4' energy: -149.597 flat angles P-C4'-P energy: -93.711 tors. eta vs tors. theta energy: -170.630 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: 5 ===================================== Write number: 125 Temperature: 1.000000 Total energy: -1978.473910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1978.473910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1978.473910 (E_RNA) where: Base-Base interactions energy: -1308.153 where: short stacking energy: -579.139 Base-Backbone interact. energy: 1.458 local terms energy: -671.779213 where: bonds (distance) C4'-P energy: -136.343 bonds (distance) P-C4' energy: -135.813 flat angles C4'-P-C4' energy: -144.271 flat angles P-C4'-P energy: -88.627 tors. eta vs tors. theta energy: -166.726 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 125 Temperature: 1.050000 Total energy: -1818.462074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1818.462074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1818.462074 (E_RNA) where: Base-Base interactions energy: -1229.800 where: short stacking energy: -507.521 Base-Backbone interact. energy: -2.364 local terms energy: -586.298031 where: bonds (distance) C4'-P energy: -110.283 bonds (distance) P-C4' energy: -105.843 flat angles C4'-P-C4' energy: -130.552 flat angles P-C4'-P energy: -100.916 tors. eta vs tors. theta energy: -138.704 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: 8 ===================================== Write number: 125 Temperature: 1.100000 Total energy: -1743.822637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1743.822637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1743.822637 (E_RNA) where: Base-Base interactions energy: -1139.225 where: short stacking energy: -475.428 Base-Backbone interact. energy: 2.777 local terms energy: -607.375061 where: bonds (distance) C4'-P energy: -122.828 bonds (distance) P-C4' energy: -115.846 flat angles C4'-P-C4' energy: -139.410 flat angles P-C4'-P energy: -80.850 tors. eta vs tors. theta energy: -148.442 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 125 Temperature: 1.150000 Total energy: -1519.808305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1519.808305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1519.808305 (E_RNA) where: Base-Base interactions energy: -975.247 where: short stacking energy: -390.344 Base-Backbone interact. energy: -3.779 local terms energy: -540.782332 where: bonds (distance) C4'-P energy: -130.509 bonds (distance) P-C4' energy: -119.054 flat angles C4'-P-C4' energy: -125.187 flat angles P-C4'-P energy: -78.275 tors. eta vs tors. theta energy: -87.758 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 125 Temperature: 1.200000 Total energy: -1098.369389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1098.369389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1098.369389 (E_RNA) where: Base-Base interactions energy: -621.164 where: short stacking energy: -302.171 Base-Backbone interact. energy: -4.522 local terms energy: -472.683618 where: bonds (distance) C4'-P energy: -132.058 bonds (distance) P-C4' energy: -113.706 flat angles C4'-P-C4' energy: -112.222 flat angles P-C4'-P energy: -63.233 tors. eta vs tors. theta energy: -51.466 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 125 Temperature: 1.250000 Total energy: -850.439374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -850.439374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -850.439374 (E_RNA) where: Base-Base interactions energy: -439.249 where: short stacking energy: -246.894 Base-Backbone interact. energy: 6.023 local terms energy: -417.213580 where: bonds (distance) C4'-P energy: -109.858 bonds (distance) P-C4' energy: -121.062 flat angles C4'-P-C4' energy: -116.357 flat angles P-C4'-P energy: -61.630 tors. eta vs tors. theta energy: -8.306 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 125 Temperature: 1.300000 Total energy: -591.657713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -591.657713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -591.657713 (E_RNA) where: Base-Base interactions energy: -210.249 where: short stacking energy: -159.455 Base-Backbone interact. energy: -0.418 local terms energy: -380.990157 where: bonds (distance) C4'-P energy: -98.610 bonds (distance) P-C4' energy: -120.577 flat angles C4'-P-C4' energy: -108.870 flat angles P-C4'-P energy: -63.732 tors. eta vs tors. theta energy: 10.800 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 125 Temperature: 1.350000 Total energy: -497.375313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -497.375313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -497.375313 (E_RNA) where: Base-Base interactions energy: -192.334 where: short stacking energy: -123.547 Base-Backbone interact. energy: 4.243 local terms energy: -309.284160 where: bonds (distance) C4'-P energy: -91.206 bonds (distance) P-C4' energy: -117.388 flat angles C4'-P-C4' energy: -89.252 flat angles P-C4'-P energy: -48.979 tors. eta vs tors. theta energy: 37.541 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 126 Temperature: 0.900000 Total energy: -2187.605350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2187.605350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2187.605350 (E_RNA) where: Base-Base interactions energy: -1462.242 where: short stacking energy: -598.299 Base-Backbone interact. energy: -3.090 local terms energy: -722.998309 where: bonds (distance) C4'-P energy: -128.761 bonds (distance) P-C4' energy: -145.778 flat angles C4'-P-C4' energy: -157.374 flat angles P-C4'-P energy: -107.415 tors. eta vs tors. theta energy: -183.670 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.725 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 126 Temperature: 0.950000 Total energy: -2113.452477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2113.452477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2113.452477 (E_RNA) where: Base-Base interactions energy: -1446.420 where: short stacking energy: -594.348 Base-Backbone interact. energy: -0.186 local terms energy: -666.845922 where: bonds (distance) C4'-P energy: -125.269 bonds (distance) P-C4' energy: -118.039 flat angles C4'-P-C4' energy: -144.812 flat angles P-C4'-P energy: -93.955 tors. eta vs tors. theta energy: -184.771 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 126 Temperature: 1.000000 Total energy: -1984.912498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1984.912498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1984.912498 (E_RNA) where: Base-Base interactions energy: -1308.307 where: short stacking energy: -544.335 Base-Backbone interact. energy: -0.714 local terms energy: -675.891348 where: bonds (distance) C4'-P energy: -121.967 bonds (distance) P-C4' energy: -134.407 flat angles C4'-P-C4' energy: -144.635 flat angles P-C4'-P energy: -93.186 tors. eta vs tors. theta energy: -181.696 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 126 Temperature: 1.050000 Total energy: -1801.853837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1801.853837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1801.853837 (E_RNA) where: Base-Base interactions energy: -1187.356 where: short stacking energy: -509.333 Base-Backbone interact. energy: 4.298 local terms energy: -618.795488 where: bonds (distance) C4'-P energy: -127.603 bonds (distance) P-C4' energy: -126.463 flat angles C4'-P-C4' energy: -127.504 flat angles P-C4'-P energy: -96.712 tors. eta vs tors. theta energy: -140.514 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 126 Temperature: 1.100000 Total energy: -1774.874518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1774.874518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1774.874518 (E_RNA) where: Base-Base interactions energy: -1174.219 where: short stacking energy: -505.914 Base-Backbone interact. energy: 4.283 local terms energy: -604.938638 where: bonds (distance) C4'-P energy: -128.858 bonds (distance) P-C4' energy: -130.669 flat angles C4'-P-C4' energy: -131.261 flat angles P-C4'-P energy: -73.910 tors. eta vs tors. theta energy: -140.241 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 126 Temperature: 1.150000 Total energy: -1502.322047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1502.322047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1502.322047 (E_RNA) where: Base-Base interactions energy: -983.717 where: short stacking energy: -407.973 Base-Backbone interact. energy: -5.741 local terms energy: -512.863492 where: bonds (distance) C4'-P energy: -95.920 bonds (distance) P-C4' energy: -116.326 flat angles C4'-P-C4' energy: -108.273 flat angles P-C4'-P energy: -77.841 tors. eta vs tors. theta energy: -114.503 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: 7, replica: 7 ===================================== Write number: 126 Temperature: 1.200000 Total energy: -1049.694993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1049.694993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1049.694993 (E_RNA) where: Base-Base interactions energy: -610.316 where: short stacking energy: -319.414 Base-Backbone interact. energy: -1.006 local terms energy: -438.373036 where: bonds (distance) C4'-P energy: -101.422 bonds (distance) P-C4' energy: -111.437 flat angles C4'-P-C4' energy: -106.506 flat angles P-C4'-P energy: -55.211 tors. eta vs tors. theta energy: -63.798 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 126 Temperature: 1.250000 Total energy: -836.468313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -836.468313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -836.468313 (E_RNA) where: Base-Base interactions energy: -421.159 where: short stacking energy: -209.941 Base-Backbone interact. energy: -3.253 local terms energy: -412.056439 where: bonds (distance) C4'-P energy: -120.825 bonds (distance) P-C4' energy: -117.432 flat angles C4'-P-C4' energy: -94.355 flat angles P-C4'-P energy: -51.145 tors. eta vs tors. theta energy: -28.300 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 126 Temperature: 1.300000 Total energy: -503.425580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -503.425580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -503.425580 (E_RNA) where: Base-Base interactions energy: -156.415 where: short stacking energy: -126.175 Base-Backbone interact. energy: -1.653 local terms energy: -345.357598 where: bonds (distance) C4'-P energy: -94.672 bonds (distance) P-C4' energy: -111.737 flat angles C4'-P-C4' energy: -100.584 flat angles P-C4'-P energy: -52.040 tors. eta vs tors. theta energy: 13.676 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 126 Temperature: 1.350000 Total energy: -588.389968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -588.389968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -588.389968 (E_RNA) where: Base-Base interactions energy: -283.118 where: short stacking energy: -164.577 Base-Backbone interact. energy: 12.506 local terms energy: -317.777448 where: bonds (distance) C4'-P energy: -116.914 bonds (distance) P-C4' energy: -90.824 flat angles C4'-P-C4' energy: -97.036 flat angles P-C4'-P energy: -31.063 tors. eta vs tors. theta energy: 18.059 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 127 Temperature: 0.900000 Total energy: -2171.516257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2171.516257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2171.516257 (E_RNA) where: Base-Base interactions energy: -1488.333 where: short stacking energy: -599.172 Base-Backbone interact. energy: 0.636 local terms energy: -683.819253 where: bonds (distance) C4'-P energy: -129.873 bonds (distance) P-C4' energy: -138.594 flat angles C4'-P-C4' energy: -141.342 flat angles P-C4'-P energy: -92.412 tors. eta vs tors. theta energy: -181.598 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 127 Temperature: 0.950000 Total energy: -2120.101805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2120.101805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2120.101805 (E_RNA) where: Base-Base interactions energy: -1444.730 where: short stacking energy: -587.588 Base-Backbone interact. energy: -1.687 local terms energy: -673.685223 where: bonds (distance) C4'-P energy: -134.682 bonds (distance) P-C4' energy: -119.908 flat angles C4'-P-C4' energy: -148.795 flat angles P-C4'-P energy: -94.404 tors. eta vs tors. theta energy: -175.897 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 127 Temperature: 1.000000 Total energy: -2005.855891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2005.855891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2005.855891 (E_RNA) where: Base-Base interactions energy: -1306.294 where: short stacking energy: -559.891 Base-Backbone interact. energy: -3.184 local terms energy: -696.377369 where: bonds (distance) C4'-P energy: -135.835 bonds (distance) P-C4' energy: -132.583 flat angles C4'-P-C4' energy: -142.129 flat angles P-C4'-P energy: -99.755 tors. eta vs tors. theta energy: -186.075 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 127 Temperature: 1.050000 Total energy: -1809.479924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1809.479924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1809.479924 (E_RNA) where: Base-Base interactions energy: -1200.229 where: short stacking energy: -504.565 Base-Backbone interact. energy: -4.025 local terms energy: -605.225871 where: bonds (distance) C4'-P energy: -116.654 bonds (distance) P-C4' energy: -127.367 flat angles C4'-P-C4' energy: -136.312 flat angles P-C4'-P energy: -83.640 tors. eta vs tors. theta energy: -141.253 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 127 Temperature: 1.100000 Total energy: -1714.261680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1714.261680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1714.261680 (E_RNA) where: Base-Base interactions energy: -1115.146 where: short stacking energy: -490.380 Base-Backbone interact. energy: -1.285 local terms energy: -597.830914 where: bonds (distance) C4'-P energy: -111.753 bonds (distance) P-C4' energy: -121.159 flat angles C4'-P-C4' energy: -134.474 flat angles P-C4'-P energy: -87.334 tors. eta vs tors. theta energy: -143.111 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 127 Temperature: 1.150000 Total energy: -1441.243083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1441.243083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1441.243083 (E_RNA) where: Base-Base interactions energy: -907.505 where: short stacking energy: -415.389 Base-Backbone interact. energy: 1.353 local terms energy: -535.091235 where: bonds (distance) C4'-P energy: -113.843 bonds (distance) P-C4' energy: -124.276 flat angles C4'-P-C4' energy: -124.044 flat angles P-C4'-P energy: -76.620 tors. eta vs tors. theta energy: -96.308 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 127 Temperature: 1.200000 Total energy: -1037.238577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1037.238577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1037.238577 (E_RNA) where: Base-Base interactions energy: -596.223 where: short stacking energy: -292.024 Base-Backbone interact. energy: 2.443 local terms energy: -443.457851 where: bonds (distance) C4'-P energy: -107.884 bonds (distance) P-C4' energy: -123.585 flat angles C4'-P-C4' energy: -104.333 flat angles P-C4'-P energy: -58.750 tors. eta vs tors. theta energy: -48.906 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 127 Temperature: 1.250000 Total energy: -909.843792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -909.843792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -909.843792 (E_RNA) where: Base-Base interactions energy: -488.122 where: short stacking energy: -235.226 Base-Backbone interact. energy: 0.461 local terms energy: -422.182526 where: bonds (distance) C4'-P energy: -133.709 bonds (distance) P-C4' energy: -122.686 flat angles C4'-P-C4' energy: -88.388 flat angles P-C4'-P energy: -52.330 tors. eta vs tors. theta energy: -25.070 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 127 Temperature: 1.300000 Total energy: -568.625236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -568.625236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -568.625236 (E_RNA) where: Base-Base interactions energy: -168.730 where: short stacking energy: -147.326 Base-Backbone interact. energy: 4.876 local terms energy: -404.771615 where: bonds (distance) C4'-P energy: -107.823 bonds (distance) P-C4' energy: -130.859 flat angles C4'-P-C4' energy: -103.670 flat angles P-C4'-P energy: -70.094 tors. eta vs tors. theta energy: 7.674 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: 10, replica: 9 ===================================== Write number: 127 Temperature: 1.350000 Total energy: -566.930877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -566.930877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -566.930877 (E_RNA) where: Base-Base interactions energy: -277.295 where: short stacking energy: -169.491 Base-Backbone interact. energy: -0.073 local terms energy: -289.563165 where: bonds (distance) C4'-P energy: -104.043 bonds (distance) P-C4' energy: -103.723 flat angles C4'-P-C4' energy: -83.767 flat angles P-C4'-P energy: -26.724 tors. eta vs tors. theta energy: 28.694 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: 6 ===================================== Write number: 128 Temperature: 0.900000 Total energy: -2171.920309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2171.920309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2171.920309 (E_RNA) where: Base-Base interactions energy: -1451.117 where: short stacking energy: -600.004 Base-Backbone interact. energy: -0.696 local terms energy: -720.107418 where: bonds (distance) C4'-P energy: -149.071 bonds (distance) P-C4' energy: -132.513 flat angles C4'-P-C4' energy: -153.087 flat angles P-C4'-P energy: -93.694 tors. eta vs tors. theta energy: -191.743 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 128 Temperature: 0.950000 Total energy: -2103.156037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2103.156037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2103.156037 (E_RNA) where: Base-Base interactions energy: -1433.332 where: short stacking energy: -576.524 Base-Backbone interact. energy: -2.209 local terms energy: -667.615191 where: bonds (distance) C4'-P energy: -118.349 bonds (distance) P-C4' energy: -136.091 flat angles C4'-P-C4' energy: -142.754 flat angles P-C4'-P energy: -100.612 tors. eta vs tors. theta energy: -169.810 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 128 Temperature: 1.000000 Total energy: -1970.751371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1970.751371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1970.751371 (E_RNA) where: Base-Base interactions energy: -1310.078 where: short stacking energy: -566.762 Base-Backbone interact. energy: -3.737 local terms energy: -656.935691 where: bonds (distance) C4'-P energy: -131.759 bonds (distance) P-C4' energy: -121.608 flat angles C4'-P-C4' energy: -149.770 flat angles P-C4'-P energy: -93.325 tors. eta vs tors. theta energy: -160.474 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 128 Temperature: 1.050000 Total energy: -1810.481827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1810.481827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1810.481827 (E_RNA) where: Base-Base interactions energy: -1194.428 where: short stacking energy: -501.274 Base-Backbone interact. energy: -5.963 local terms energy: -610.090771 where: bonds (distance) C4'-P energy: -122.666 bonds (distance) P-C4' energy: -129.821 flat angles C4'-P-C4' energy: -130.097 flat angles P-C4'-P energy: -76.809 tors. eta vs tors. theta energy: -150.698 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 128 Temperature: 1.100000 Total energy: -1750.718211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1750.718211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1750.718211 (E_RNA) where: Base-Base interactions energy: -1125.549 where: short stacking energy: -492.368 Base-Backbone interact. energy: -1.375 local terms energy: -623.793856 where: bonds (distance) C4'-P energy: -113.710 bonds (distance) P-C4' energy: -135.220 flat angles C4'-P-C4' energy: -138.499 flat angles P-C4'-P energy: -86.659 tors. eta vs tors. theta energy: -149.706 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: 2 ===================================== Write number: 128 Temperature: 1.150000 Total energy: -1457.946201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1457.946201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1457.946201 (E_RNA) where: Base-Base interactions energy: -919.128 where: short stacking energy: -390.600 Base-Backbone interact. energy: 4.162 local terms energy: -542.979956 where: bonds (distance) C4'-P energy: -109.483 bonds (distance) P-C4' energy: -116.133 flat angles C4'-P-C4' energy: -126.844 flat angles P-C4'-P energy: -82.468 tors. eta vs tors. theta energy: -108.052 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 128 Temperature: 1.200000 Total energy: -1018.985590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1018.985590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1018.985590 (E_RNA) where: Base-Base interactions energy: -581.708 where: short stacking energy: -293.046 Base-Backbone interact. energy: -1.102 local terms energy: -436.176410 where: bonds (distance) C4'-P energy: -129.376 bonds (distance) P-C4' energy: -116.449 flat angles C4'-P-C4' energy: -99.954 flat angles P-C4'-P energy: -62.664 tors. eta vs tors. theta energy: -27.733 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 128 Temperature: 1.250000 Total energy: -971.177375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -971.177375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -971.177375 (E_RNA) where: Base-Base interactions energy: -557.083 where: short stacking energy: -270.328 Base-Backbone interact. energy: -1.737 local terms energy: -412.357195 where: bonds (distance) C4'-P energy: -104.613 bonds (distance) P-C4' energy: -118.482 flat angles C4'-P-C4' energy: -96.397 flat angles P-C4'-P energy: -56.959 tors. eta vs tors. theta energy: -35.906 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: 9 ===================================== Write number: 128 Temperature: 1.300000 Total energy: -649.561895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -649.561895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -649.561895 (E_RNA) where: Base-Base interactions energy: -280.439 where: short stacking energy: -187.073 Base-Backbone interact. energy: -1.850 local terms energy: -367.273263 where: bonds (distance) C4'-P energy: -100.398 bonds (distance) P-C4' energy: -113.054 flat angles C4'-P-C4' energy: -98.211 flat angles P-C4'-P energy: -53.631 tors. eta vs tors. theta energy: -1.979 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 128 Temperature: 1.350000 Total energy: -473.198988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -473.198988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -473.198988 (E_RNA) where: Base-Base interactions energy: -141.169 where: short stacking energy: -122.296 Base-Backbone interact. energy: -3.223 local terms energy: -328.807307 where: bonds (distance) C4'-P energy: -119.690 bonds (distance) P-C4' energy: -107.448 flat angles C4'-P-C4' energy: -84.185 flat angles P-C4'-P energy: -65.346 tors. eta vs tors. theta energy: 47.861 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: 6 ===================================== Write number: 129 Temperature: 0.900000 Total energy: -2161.441205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2161.441205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2161.441205 (E_RNA) where: Base-Base interactions energy: -1452.127 where: short stacking energy: -619.290 Base-Backbone interact. energy: -2.945 local terms energy: -706.369174 where: bonds (distance) C4'-P energy: -132.537 bonds (distance) P-C4' energy: -136.506 flat angles C4'-P-C4' energy: -138.094 flat angles P-C4'-P energy: -106.024 tors. eta vs tors. theta energy: -193.208 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 129 Temperature: 0.950000 Total energy: -2096.649254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2096.649254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2096.649254 (E_RNA) where: Base-Base interactions energy: -1428.686 where: short stacking energy: -565.505 Base-Backbone interact. energy: -1.334 local terms energy: -666.629011 where: bonds (distance) C4'-P energy: -136.874 bonds (distance) P-C4' energy: -108.433 flat angles C4'-P-C4' energy: -152.619 flat angles P-C4'-P energy: -90.147 tors. eta vs tors. theta energy: -178.556 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 129 Temperature: 1.000000 Total energy: -1989.785258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1989.785258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1989.785258 (E_RNA) where: Base-Base interactions energy: -1314.361 where: short stacking energy: -561.895 Base-Backbone interact. energy: -2.578 local terms energy: -672.846174 where: bonds (distance) C4'-P energy: -120.064 bonds (distance) P-C4' energy: -142.527 flat angles C4'-P-C4' energy: -145.226 flat angles P-C4'-P energy: -90.080 tors. eta vs tors. theta energy: -174.949 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: 129 Temperature: 1.050000 Total energy: -1799.904593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1799.904593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1799.904593 (E_RNA) where: Base-Base interactions energy: -1212.517 where: short stacking energy: -488.600 Base-Backbone interact. energy: 1.525 local terms energy: -588.912527 where: bonds (distance) C4'-P energy: -130.569 bonds (distance) P-C4' energy: -119.026 flat angles C4'-P-C4' energy: -119.296 flat angles P-C4'-P energy: -76.543 tors. eta vs tors. theta energy: -143.479 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: 4 ===================================== Write number: 129 Temperature: 1.100000 Total energy: -1739.823920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1739.823920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1739.823920 (E_RNA) where: Base-Base interactions energy: -1146.013 where: short stacking energy: -470.738 Base-Backbone interact. energy: 0.467 local terms energy: -594.278278 where: bonds (distance) C4'-P energy: -128.095 bonds (distance) P-C4' energy: -111.050 flat angles C4'-P-C4' energy: -124.023 flat angles P-C4'-P energy: -87.481 tors. eta vs tors. theta energy: -143.630 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: 6, replica: 2 ===================================== Write number: 129 Temperature: 1.150000 Total energy: -1584.819499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1584.819499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1584.819499 (E_RNA) where: Base-Base interactions energy: -1019.538 where: short stacking energy: -424.691 Base-Backbone interact. energy: -3.344 local terms energy: -562.174513 where: bonds (distance) C4'-P energy: -119.234 bonds (distance) P-C4' energy: -98.902 flat angles C4'-P-C4' energy: -127.232 flat angles P-C4'-P energy: -93.783 tors. eta vs tors. theta energy: -123.024 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.237 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 129 Temperature: 1.200000 Total energy: -1039.964076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1039.964076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1039.964076 (E_RNA) where: Base-Base interactions energy: -590.627 where: short stacking energy: -293.181 Base-Backbone interact. energy: -0.406 local terms energy: -448.930373 where: bonds (distance) C4'-P energy: -105.517 bonds (distance) P-C4' energy: -130.467 flat angles C4'-P-C4' energy: -95.460 flat angles P-C4'-P energy: -76.610 tors. eta vs tors. theta energy: -40.876 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 129 Temperature: 1.250000 Total energy: -958.982000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -958.982000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -958.982000 (E_RNA) where: Base-Base interactions energy: -548.750 where: short stacking energy: -281.485 Base-Backbone interact. energy: 0.451 local terms energy: -410.682535 where: bonds (distance) C4'-P energy: -107.462 bonds (distance) P-C4' energy: -117.663 flat angles C4'-P-C4' energy: -91.359 flat angles P-C4'-P energy: -61.477 tors. eta vs tors. theta energy: -32.721 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 129 Temperature: 1.300000 Total energy: -639.861042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -639.861042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -639.861042 (E_RNA) where: Base-Base interactions energy: -246.480 where: short stacking energy: -180.780 Base-Backbone interact. energy: -0.621 local terms energy: -392.759904 where: bonds (distance) C4'-P energy: -101.237 bonds (distance) P-C4' energy: -108.640 flat angles C4'-P-C4' energy: -102.598 flat angles P-C4'-P energy: -72.000 tors. eta vs tors. theta energy: -8.285 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: 3 ===================================== Write number: 129 Temperature: 1.350000 Total energy: -474.820580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -474.820580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -474.820580 (E_RNA) where: Base-Base interactions energy: -155.970 where: short stacking energy: -141.749 Base-Backbone interact. energy: -3.701 local terms energy: -315.149778 where: bonds (distance) C4'-P energy: -99.863 bonds (distance) P-C4' energy: -104.666 flat angles C4'-P-C4' energy: -90.547 flat angles P-C4'-P energy: -38.433 tors. eta vs tors. theta energy: 18.360 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 130 Temperature: 0.900000 Total energy: -2141.007606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2141.007606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2141.007606 (E_RNA) where: Base-Base interactions energy: -1454.705 where: short stacking energy: -607.707 Base-Backbone interact. energy: -1.819 local terms energy: -684.484170 where: bonds (distance) C4'-P energy: -125.037 bonds (distance) P-C4' energy: -141.272 flat angles C4'-P-C4' energy: -142.173 flat angles P-C4'-P energy: -85.858 tors. eta vs tors. theta energy: -190.143 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 130 Temperature: 0.950000 Total energy: -2119.084890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2119.084890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2119.084890 (E_RNA) where: Base-Base interactions energy: -1438.381 where: short stacking energy: -593.931 Base-Backbone interact. energy: -5.149 local terms energy: -675.554932 where: bonds (distance) C4'-P energy: -129.358 bonds (distance) P-C4' energy: -136.428 flat angles C4'-P-C4' energy: -132.291 flat angles P-C4'-P energy: -87.846 tors. eta vs tors. theta energy: -189.631 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: 5 ===================================== Write number: 130 Temperature: 1.000000 Total energy: -2003.050605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2003.050605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2003.050605 (E_RNA) where: Base-Base interactions energy: -1333.183 where: short stacking energy: -568.251 Base-Backbone interact. energy: -1.787 local terms energy: -668.081264 where: bonds (distance) C4'-P energy: -129.739 bonds (distance) P-C4' energy: -118.903 flat angles C4'-P-C4' energy: -145.284 flat angles P-C4'-P energy: -95.732 tors. eta vs tors. theta energy: -178.423 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 130 Temperature: 1.050000 Total energy: -1807.363496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1807.363496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1807.363496 (E_RNA) where: Base-Base interactions energy: -1182.958 where: short stacking energy: -492.805 Base-Backbone interact. energy: 1.227 local terms energy: -625.631993 where: bonds (distance) C4'-P energy: -117.108 bonds (distance) P-C4' energy: -133.356 flat angles C4'-P-C4' energy: -131.147 flat angles P-C4'-P energy: -99.887 tors. eta vs tors. theta energy: -144.134 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: 4 ===================================== Write number: 130 Temperature: 1.100000 Total energy: -1682.559772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1682.559772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1682.559772 (E_RNA) where: Base-Base interactions energy: -1131.259 where: short stacking energy: -462.911 Base-Backbone interact. energy: -3.593 local terms energy: -547.708098 where: bonds (distance) C4'-P energy: -97.940 bonds (distance) P-C4' energy: -120.476 flat angles C4'-P-C4' energy: -121.077 flat angles P-C4'-P energy: -81.318 tors. eta vs tors. theta energy: -126.897 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 130 Temperature: 1.150000 Total energy: -1581.481244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1581.481244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1581.481244 (E_RNA) where: Base-Base interactions energy: -1061.829 where: short stacking energy: -455.996 Base-Backbone interact. energy: -0.916 local terms energy: -518.736220 where: bonds (distance) C4'-P energy: -82.958 bonds (distance) P-C4' energy: -112.671 flat angles C4'-P-C4' energy: -117.869 flat angles P-C4'-P energy: -75.702 tors. eta vs tors. theta energy: -129.536 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: 130 Temperature: 1.200000 Total energy: -1071.309790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1071.309790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1071.309790 (E_RNA) where: Base-Base interactions energy: -625.983 where: short stacking energy: -281.504 Base-Backbone interact. energy: 1.604 local terms energy: -446.931455 where: bonds (distance) C4'-P energy: -107.755 bonds (distance) P-C4' energy: -118.984 flat angles C4'-P-C4' energy: -106.880 flat angles P-C4'-P energy: -67.742 tors. eta vs tors. theta energy: -45.571 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: 1 ===================================== Write number: 130 Temperature: 1.250000 Total energy: -1004.628038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1004.628038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1004.628038 (E_RNA) where: Base-Base interactions energy: -569.689 where: short stacking energy: -275.927 Base-Backbone interact. energy: -0.073 local terms energy: -434.873964 where: bonds (distance) C4'-P energy: -121.920 bonds (distance) P-C4' energy: -91.461 flat angles C4'-P-C4' energy: -97.629 flat angles P-C4'-P energy: -73.827 tors. eta vs tors. theta energy: -50.037 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.008 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 130 Temperature: 1.300000 Total energy: -533.360421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -533.360421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -533.360421 (E_RNA) where: Base-Base interactions energy: -173.248 where: short stacking energy: -143.768 Base-Backbone interact. energy: 4.432 local terms energy: -364.545138 where: bonds (distance) C4'-P energy: -94.301 bonds (distance) P-C4' energy: -124.563 flat angles C4'-P-C4' energy: -127.765 flat angles P-C4'-P energy: -44.578 tors. eta vs tors. theta energy: 26.662 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 130 Temperature: 1.350000 Total energy: -559.478741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -559.478741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -559.478741 (E_RNA) where: Base-Base interactions energy: -236.011 where: short stacking energy: -136.311 Base-Backbone interact. energy: 6.617 local terms energy: -330.084765 where: bonds (distance) C4'-P energy: -93.297 bonds (distance) P-C4' energy: -108.052 flat angles C4'-P-C4' energy: -100.494 flat angles P-C4'-P energy: -51.400 tors. eta vs tors. theta energy: 23.159 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: 10 ===================================== Write number: 131 Temperature: 0.900000 Total energy: -2145.892563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2145.892563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2145.892563 (E_RNA) where: Base-Base interactions energy: -1436.882 where: short stacking energy: -616.794 Base-Backbone interact. energy: -3.695 local terms energy: -705.315408 where: bonds (distance) C4'-P energy: -138.772 bonds (distance) P-C4' energy: -129.736 flat angles C4'-P-C4' energy: -158.796 flat angles P-C4'-P energy: -96.319 tors. eta vs tors. theta energy: -181.692 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 131 Temperature: 0.950000 Total energy: -2059.904829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2059.904829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2059.904829 (E_RNA) where: Base-Base interactions energy: -1381.849 where: short stacking energy: -576.172 Base-Backbone interact. energy: -1.184 local terms energy: -676.871497 where: bonds (distance) C4'-P energy: -129.142 bonds (distance) P-C4' energy: -129.773 flat angles C4'-P-C4' energy: -147.101 flat angles P-C4'-P energy: -102.111 tors. eta vs tors. theta energy: -168.744 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 131 Temperature: 1.000000 Total energy: -2012.222910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2012.222910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2012.222910 (E_RNA) where: Base-Base interactions energy: -1312.751 where: short stacking energy: -561.923 Base-Backbone interact. energy: -3.893 local terms energy: -695.579192 where: bonds (distance) C4'-P energy: -141.224 bonds (distance) P-C4' energy: -131.260 flat angles C4'-P-C4' energy: -145.268 flat angles P-C4'-P energy: -91.500 tors. eta vs tors. theta energy: -186.328 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 131 Temperature: 1.050000 Total energy: -1833.492832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1833.492832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1833.492832 (E_RNA) where: Base-Base interactions energy: -1184.769 where: short stacking energy: -526.708 Base-Backbone interact. energy: -2.422 local terms energy: -646.301505 where: bonds (distance) C4'-P energy: -122.101 bonds (distance) P-C4' energy: -130.847 flat angles C4'-P-C4' energy: -132.393 flat angles P-C4'-P energy: -96.325 tors. eta vs tors. theta energy: -164.636 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: 4 ===================================== Write number: 131 Temperature: 1.100000 Total energy: -1679.490412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1679.490412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1679.490412 (E_RNA) where: Base-Base interactions energy: -1086.958 where: short stacking energy: -443.735 Base-Backbone interact. energy: -2.777 local terms energy: -589.755400 where: bonds (distance) C4'-P energy: -132.737 bonds (distance) P-C4' energy: -130.672 flat angles C4'-P-C4' energy: -121.801 flat angles P-C4'-P energy: -69.604 tors. eta vs tors. theta energy: -134.941 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 131 Temperature: 1.150000 Total energy: -1521.325098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1521.325098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1521.325098 (E_RNA) where: Base-Base interactions energy: -974.545 where: short stacking energy: -424.155 Base-Backbone interact. energy: -2.143 local terms energy: -544.637385 where: bonds (distance) C4'-P energy: -127.120 bonds (distance) P-C4' energy: -99.867 flat angles C4'-P-C4' energy: -119.797 flat angles P-C4'-P energy: -82.529 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: 7, replica: 7 ===================================== Write number: 131 Temperature: 1.200000 Total energy: -1093.012061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1093.012061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1093.012061 (E_RNA) where: Base-Base interactions energy: -634.403 where: short stacking energy: -309.185 Base-Backbone interact. energy: -1.808 local terms energy: -456.801044 where: bonds (distance) C4'-P energy: -105.506 bonds (distance) P-C4' energy: -122.398 flat angles C4'-P-C4' energy: -96.126 flat angles P-C4'-P energy: -66.586 tors. eta vs tors. theta energy: -66.185 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: 1 ===================================== Write number: 131 Temperature: 1.250000 Total energy: -965.592389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -965.592389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -965.592389 (E_RNA) where: Base-Base interactions energy: -537.714 where: short stacking energy: -259.616 Base-Backbone interact. energy: -2.704 local terms energy: -425.174994 where: bonds (distance) C4'-P energy: -108.677 bonds (distance) P-C4' energy: -117.126 flat angles C4'-P-C4' energy: -99.867 flat angles P-C4'-P energy: -50.365 tors. eta vs tors. theta energy: -49.139 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 131 Temperature: 1.300000 Total energy: -522.494158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -522.494158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -522.494158 (E_RNA) where: Base-Base interactions energy: -173.568 where: short stacking energy: -145.382 Base-Backbone interact. energy: 0.612 local terms energy: -349.538518 where: bonds (distance) C4'-P energy: -94.183 bonds (distance) P-C4' energy: -116.198 flat angles C4'-P-C4' energy: -119.441 flat angles P-C4'-P energy: -43.641 tors. eta vs tors. theta energy: 23.925 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: 9 ===================================== Write number: 131 Temperature: 1.350000 Total energy: -523.213989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -523.213989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -523.213989 (E_RNA) where: Base-Base interactions energy: -188.806 where: short stacking energy: -141.575 Base-Backbone interact. energy: 5.544 local terms energy: -339.952443 where: bonds (distance) C4'-P energy: -103.517 bonds (distance) P-C4' energy: -104.104 flat angles C4'-P-C4' energy: -93.340 flat angles P-C4'-P energy: -43.301 tors. eta vs tors. theta energy: 4.309 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 132 Temperature: 0.900000 Total energy: -2155.589367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2155.589367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2155.589367 (E_RNA) where: Base-Base interactions energy: -1448.063 where: short stacking energy: -599.179 Base-Backbone interact. energy: 4.290 local terms energy: -711.816570 where: bonds (distance) C4'-P energy: -131.125 bonds (distance) P-C4' energy: -140.006 flat angles C4'-P-C4' energy: -155.172 flat angles P-C4'-P energy: -97.883 tors. eta vs tors. theta energy: -187.630 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: 6 ===================================== Write number: 132 Temperature: 0.950000 Total energy: -2084.569546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2084.569546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2084.569546 (E_RNA) where: Base-Base interactions energy: -1408.969 where: short stacking energy: -588.145 Base-Backbone interact. energy: -4.431 local terms energy: -671.169614 where: bonds (distance) C4'-P energy: -135.716 bonds (distance) P-C4' energy: -125.435 flat angles C4'-P-C4' energy: -144.136 flat angles P-C4'-P energy: -86.567 tors. eta vs tors. theta energy: -179.315 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: 5 ===================================== Write number: 132 Temperature: 1.000000 Total energy: -1966.158835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1966.158835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1966.158835 (E_RNA) where: Base-Base interactions energy: -1302.194 where: short stacking energy: -539.573 Base-Backbone interact. energy: -1.413 local terms energy: -662.551843 where: bonds (distance) C4'-P energy: -133.627 bonds (distance) P-C4' energy: -131.913 flat angles C4'-P-C4' energy: -148.966 flat angles P-C4'-P energy: -91.750 tors. eta vs tors. theta energy: -156.296 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 132 Temperature: 1.050000 Total energy: -1849.998976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1849.998976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1849.998976 (E_RNA) where: Base-Base interactions energy: -1207.092 where: short stacking energy: -525.054 Base-Backbone interact. energy: 3.875 local terms energy: -646.782622 where: bonds (distance) C4'-P energy: -123.048 bonds (distance) P-C4' energy: -142.957 flat angles C4'-P-C4' energy: -132.306 flat angles P-C4'-P energy: -94.206 tors. eta vs tors. theta energy: -154.266 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 132 Temperature: 1.100000 Total energy: -1668.813564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1668.813564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1668.813564 (E_RNA) where: Base-Base interactions energy: -1090.950 where: short stacking energy: -493.858 Base-Backbone interact. energy: -3.894 local terms energy: -573.969350 where: bonds (distance) C4'-P energy: -114.055 bonds (distance) P-C4' energy: -109.777 flat angles C4'-P-C4' energy: -126.563 flat angles P-C4'-P energy: -89.702 tors. eta vs tors. theta energy: -133.873 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 132 Temperature: 1.150000 Total energy: -1558.486477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1558.486477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1558.486477 (E_RNA) where: Base-Base interactions energy: -1018.596 where: short stacking energy: -417.933 Base-Backbone interact. energy: -2.303 local terms energy: -537.587130 where: bonds (distance) C4'-P energy: -127.347 bonds (distance) P-C4' energy: -108.239 flat angles C4'-P-C4' energy: -113.164 flat angles P-C4'-P energy: -73.510 tors. eta vs tors. theta energy: -115.326 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: 7, replica: 7 ===================================== Write number: 132 Temperature: 1.200000 Total energy: -1082.221450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1082.221450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1082.221450 (E_RNA) where: Base-Base interactions energy: -604.224 where: short stacking energy: -283.800 Base-Backbone interact. energy: -1.626 local terms energy: -476.371526 where: bonds (distance) C4'-P energy: -111.666 bonds (distance) P-C4' energy: -123.158 flat angles C4'-P-C4' energy: -129.220 flat angles P-C4'-P energy: -68.730 tors. eta vs tors. theta energy: -43.597 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: 1 ===================================== Write number: 132 Temperature: 1.250000 Total energy: -935.438867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -935.438867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -935.438867 (E_RNA) where: Base-Base interactions energy: -525.112 where: short stacking energy: -254.975 Base-Backbone interact. energy: 1.736 local terms energy: -412.062239 where: bonds (distance) C4'-P energy: -124.281 bonds (distance) P-C4' energy: -108.128 flat angles C4'-P-C4' energy: -98.437 flat angles P-C4'-P energy: -61.750 tors. eta vs tors. theta energy: -19.467 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 132 Temperature: 1.300000 Total energy: -544.617424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -544.617424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -544.617424 (E_RNA) where: Base-Base interactions energy: -162.123 where: short stacking energy: -141.385 Base-Backbone interact. energy: 2.569 local terms energy: -385.062647 where: bonds (distance) C4'-P energy: -115.435 bonds (distance) P-C4' energy: -111.998 flat angles C4'-P-C4' energy: -109.913 flat angles P-C4'-P energy: -70.123 tors. eta vs tors. theta energy: 22.405 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: 9 ===================================== Write number: 132 Temperature: 1.350000 Total energy: -559.583988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -559.583988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -559.583988 (E_RNA) where: Base-Base interactions energy: -225.097 where: short stacking energy: -134.693 Base-Backbone interact. energy: 7.091 local terms energy: -341.577817 where: bonds (distance) C4'-P energy: -110.802 bonds (distance) P-C4' energy: -113.437 flat angles C4'-P-C4' energy: -84.218 flat angles P-C4'-P energy: -64.482 tors. eta vs tors. theta energy: 31.361 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 133 Temperature: 0.900000 Total energy: -2133.931424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2133.931424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2133.931424 (E_RNA) where: Base-Base interactions energy: -1455.278 where: short stacking energy: -588.249 Base-Backbone interact. energy: 0.465 local terms energy: -679.118063 where: bonds (distance) C4'-P energy: -137.498 bonds (distance) P-C4' energy: -132.082 flat angles C4'-P-C4' energy: -143.858 flat angles P-C4'-P energy: -80.794 tors. eta vs tors. theta energy: -184.886 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 133 Temperature: 0.950000 Total energy: -2091.924399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2091.924399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2091.924399 (E_RNA) where: Base-Base interactions energy: -1406.096 where: short stacking energy: -565.357 Base-Backbone interact. energy: -2.646 local terms energy: -683.183107 where: bonds (distance) C4'-P energy: -140.461 bonds (distance) P-C4' energy: -132.491 flat angles C4'-P-C4' energy: -147.559 flat angles P-C4'-P energy: -82.854 tors. eta vs tors. theta energy: -179.819 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 133 Temperature: 1.000000 Total energy: -1954.978237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1954.978237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1954.978237 (E_RNA) where: Base-Base interactions energy: -1299.755 where: short stacking energy: -556.088 Base-Backbone interact. energy: -0.331 local terms energy: -654.892734 where: bonds (distance) C4'-P energy: -128.100 bonds (distance) P-C4' energy: -114.041 flat angles C4'-P-C4' energy: -139.954 flat angles P-C4'-P energy: -100.003 tors. eta vs tors. theta energy: -172.794 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 133 Temperature: 1.050000 Total energy: -1836.405487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1836.405487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1836.405487 (E_RNA) where: Base-Base interactions energy: -1212.877 where: short stacking energy: -510.709 Base-Backbone interact. energy: 0.710 local terms energy: -624.238808 where: bonds (distance) C4'-P energy: -116.278 bonds (distance) P-C4' energy: -127.790 flat angles C4'-P-C4' energy: -139.235 flat angles P-C4'-P energy: -83.203 tors. eta vs tors. theta energy: -157.732 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 133 Temperature: 1.100000 Total energy: -1601.736408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1601.736408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1601.736408 (E_RNA) where: Base-Base interactions energy: -1048.537 where: short stacking energy: -437.678 Base-Backbone interact. energy: -4.526 local terms energy: -548.673684 where: bonds (distance) C4'-P energy: -120.650 bonds (distance) P-C4' energy: -128.534 flat angles C4'-P-C4' energy: -105.499 flat angles P-C4'-P energy: -77.711 tors. eta vs tors. theta energy: -116.280 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 133 Temperature: 1.150000 Total energy: -1516.142656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1516.142656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1516.142656 (E_RNA) where: Base-Base interactions energy: -1002.674 where: short stacking energy: -406.289 Base-Backbone interact. energy: 2.339 local terms energy: -515.807505 where: bonds (distance) C4'-P energy: -115.870 bonds (distance) P-C4' energy: -99.135 flat angles C4'-P-C4' energy: -121.866 flat angles P-C4'-P energy: -70.376 tors. eta vs tors. theta energy: -108.560 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: 7 ===================================== Write number: 133 Temperature: 1.200000 Total energy: -1191.765060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1191.765060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1191.765060 (E_RNA) where: Base-Base interactions energy: -682.158 where: short stacking energy: -323.626 Base-Backbone interact. energy: 2.389 local terms energy: -511.995707 where: bonds (distance) C4'-P energy: -103.857 bonds (distance) P-C4' energy: -136.083 flat angles C4'-P-C4' energy: -115.198 flat angles P-C4'-P energy: -79.761 tors. eta vs tors. theta energy: -77.096 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 133 Temperature: 1.250000 Total energy: -912.042720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -912.042720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -912.042720 (E_RNA) where: Base-Base interactions energy: -498.406 where: short stacking energy: -251.705 Base-Backbone interact. energy: -0.481 local terms energy: -413.155838 where: bonds (distance) C4'-P energy: -114.831 bonds (distance) P-C4' energy: -105.182 flat angles C4'-P-C4' energy: -92.350 flat angles P-C4'-P energy: -69.597 tors. eta vs tors. theta energy: -31.195 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 133 Temperature: 1.300000 Total energy: -513.852210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -513.852210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -513.852210 (E_RNA) where: Base-Base interactions energy: -159.864 where: short stacking energy: -135.424 Base-Backbone interact. energy: 0.726 local terms energy: -354.714057 where: bonds (distance) C4'-P energy: -107.678 bonds (distance) P-C4' energy: -109.744 flat angles C4'-P-C4' energy: -95.066 flat angles P-C4'-P energy: -67.939 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: 9 ===================================== Write number: 133 Temperature: 1.350000 Total energy: -560.993856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -560.993856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -560.993856 (E_RNA) where: Base-Base interactions energy: -254.068 where: short stacking energy: -146.946 Base-Backbone interact. energy: 1.192 local terms energy: -308.117295 where: bonds (distance) C4'-P energy: -114.147 bonds (distance) P-C4' energy: -103.555 flat angles C4'-P-C4' energy: -73.144 flat angles P-C4'-P energy: -43.738 tors. eta vs tors. theta energy: 26.467 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 134 Temperature: 0.900000 Total energy: -2157.049294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2157.049294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2157.049294 (E_RNA) where: Base-Base interactions energy: -1457.913 where: short stacking energy: -618.828 Base-Backbone interact. energy: -1.051 local terms energy: -698.085497 where: bonds (distance) C4'-P energy: -132.899 bonds (distance) P-C4' energy: -124.463 flat angles C4'-P-C4' energy: -150.996 flat angles P-C4'-P energy: -93.041 tors. eta vs tors. theta energy: -196.687 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 134 Temperature: 0.950000 Total energy: -2093.519202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2093.519202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2093.519202 (E_RNA) where: Base-Base interactions energy: -1410.208 where: short stacking energy: -600.966 Base-Backbone interact. energy: -1.898 local terms energy: -681.413252 where: bonds (distance) C4'-P energy: -130.241 bonds (distance) P-C4' energy: -135.355 flat angles C4'-P-C4' energy: -139.656 flat angles P-C4'-P energy: -87.899 tors. eta vs tors. theta energy: -188.262 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 134 Temperature: 1.000000 Total energy: -1997.610708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1997.610708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1997.610708 (E_RNA) where: Base-Base interactions energy: -1318.018 where: short stacking energy: -577.766 Base-Backbone interact. energy: -0.938 local terms energy: -678.654750 where: bonds (distance) C4'-P energy: -132.881 bonds (distance) P-C4' energy: -120.960 flat angles C4'-P-C4' energy: -135.707 flat angles P-C4'-P energy: -102.473 tors. eta vs tors. theta energy: -186.634 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: 8 ===================================== Write number: 134 Temperature: 1.050000 Total energy: -1841.334708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1841.334708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1841.334708 (E_RNA) where: Base-Base interactions energy: -1200.018 where: short stacking energy: -516.284 Base-Backbone interact. energy: -2.900 local terms energy: -638.416716 where: bonds (distance) C4'-P energy: -130.910 bonds (distance) P-C4' energy: -133.899 flat angles C4'-P-C4' energy: -124.939 flat angles P-C4'-P energy: -89.178 tors. eta vs tors. theta energy: -159.492 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 134 Temperature: 1.100000 Total energy: -1558.130114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1558.130114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1558.130114 (E_RNA) where: Base-Base interactions energy: -991.745 where: short stacking energy: -428.266 Base-Backbone interact. energy: 1.498 local terms energy: -567.883712 where: bonds (distance) C4'-P energy: -115.258 bonds (distance) P-C4' energy: -136.606 flat angles C4'-P-C4' energy: -117.032 flat angles P-C4'-P energy: -85.892 tors. eta vs tors. theta energy: -113.096 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 134 Temperature: 1.150000 Total energy: -1480.754289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1480.754289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1480.754289 (E_RNA) where: Base-Base interactions energy: -925.381 where: short stacking energy: -419.337 Base-Backbone interact. energy: -3.510 local terms energy: -551.862814 where: bonds (distance) C4'-P energy: -109.941 bonds (distance) P-C4' energy: -125.852 flat angles C4'-P-C4' energy: -108.656 flat angles P-C4'-P energy: -79.062 tors. eta vs tors. theta energy: -128.352 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: 7, replica: 7 ===================================== Write number: 134 Temperature: 1.200000 Total energy: -1200.924850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1200.924850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1200.924850 (E_RNA) where: Base-Base interactions energy: -708.828 where: short stacking energy: -323.686 Base-Backbone interact. energy: -3.593 local terms energy: -488.581496 where: bonds (distance) C4'-P energy: -121.588 bonds (distance) P-C4' energy: -115.523 flat angles C4'-P-C4' energy: -127.907 flat angles P-C4'-P energy: -57.124 tors. eta vs tors. theta energy: -66.439 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.078 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 134 Temperature: 1.250000 Total energy: -955.349351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -955.349351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -955.349351 (E_RNA) where: Base-Base interactions energy: -540.907 where: short stacking energy: -277.606 Base-Backbone interact. energy: -1.012 local terms energy: -413.429907 where: bonds (distance) C4'-P energy: -84.637 bonds (distance) P-C4' energy: -117.722 flat angles C4'-P-C4' energy: -100.199 flat angles P-C4'-P energy: -77.261 tors. eta vs tors. theta energy: -33.611 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 134 Temperature: 1.300000 Total energy: -564.879833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -564.879833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -564.879833 (E_RNA) where: Base-Base interactions energy: -187.379 where: short stacking energy: -131.864 Base-Backbone interact. energy: -3.034 local terms energy: -374.466258 where: bonds (distance) C4'-P energy: -97.191 bonds (distance) P-C4' energy: -127.603 flat angles C4'-P-C4' energy: -114.968 flat angles P-C4'-P energy: -47.464 tors. eta vs tors. theta energy: 12.759 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 134 Temperature: 1.350000 Total energy: -477.982492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -477.982492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -477.982492 (E_RNA) where: Base-Base interactions energy: -142.843 where: short stacking energy: -119.061 Base-Backbone interact. energy: 1.894 local terms energy: -339.089517 where: bonds (distance) C4'-P energy: -115.982 bonds (distance) P-C4' energy: -115.538 flat angles C4'-P-C4' energy: -88.930 flat angles P-C4'-P energy: -63.653 tors. eta vs tors. theta energy: 45.014 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 2.056 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 135 Temperature: 0.900000 Total energy: -2168.112900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2168.112900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2168.112900 (E_RNA) where: Base-Base interactions energy: -1449.562 where: short stacking energy: -608.323 Base-Backbone interact. energy: -4.168 local terms energy: -714.382136 where: bonds (distance) C4'-P energy: -147.415 bonds (distance) P-C4' energy: -144.034 flat angles C4'-P-C4' energy: -141.463 flat angles P-C4'-P energy: -88.962 tors. eta vs tors. theta energy: -192.508 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: 6 ===================================== Write number: 135 Temperature: 0.950000 Total energy: -2093.655395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2093.655395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2093.655395 (E_RNA) where: Base-Base interactions energy: -1400.997 where: short stacking energy: -592.608 Base-Backbone interact. energy: 0.483 local terms energy: -693.141389 where: bonds (distance) C4'-P energy: -138.280 bonds (distance) P-C4' energy: -132.123 flat angles C4'-P-C4' energy: -145.913 flat angles P-C4'-P energy: -91.014 tors. eta vs tors. theta energy: -185.811 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 135 Temperature: 1.000000 Total energy: -1989.753830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1989.753830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1989.753830 (E_RNA) where: Base-Base interactions energy: -1339.322 where: short stacking energy: -580.555 Base-Backbone interact. energy: -2.146 local terms energy: -648.285746 where: bonds (distance) C4'-P energy: -93.340 bonds (distance) P-C4' energy: -126.213 flat angles C4'-P-C4' energy: -154.984 flat angles P-C4'-P energy: -93.935 tors. eta vs tors. theta energy: -179.813 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 135 Temperature: 1.050000 Total energy: -1880.675009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1880.675009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1880.675009 (E_RNA) where: Base-Base interactions energy: -1235.309 where: short stacking energy: -520.849 Base-Backbone interact. energy: 3.740 local terms energy: -649.105247 where: bonds (distance) C4'-P energy: -128.673 bonds (distance) P-C4' energy: -134.846 flat angles C4'-P-C4' energy: -134.331 flat angles P-C4'-P energy: -93.230 tors. eta vs tors. theta energy: -158.026 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 135 Temperature: 1.100000 Total energy: -1674.906162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1674.906162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1674.906162 (E_RNA) where: Base-Base interactions energy: -1098.476 where: short stacking energy: -470.617 Base-Backbone interact. energy: 0.725 local terms energy: -577.155351 where: bonds (distance) C4'-P energy: -127.058 bonds (distance) P-C4' energy: -125.956 flat angles C4'-P-C4' energy: -113.807 flat angles P-C4'-P energy: -74.319 tors. eta vs tors. theta energy: -136.015 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: 6, replica: 2 ===================================== Write number: 135 Temperature: 1.150000 Total energy: -1579.749265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1579.749265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1579.749265 (E_RNA) where: Base-Base interactions energy: -1000.716 where: short stacking energy: -432.827 Base-Backbone interact. energy: 0.576 local terms energy: -579.609836 where: bonds (distance) C4'-P energy: -129.698 bonds (distance) P-C4' energy: -125.904 flat angles C4'-P-C4' energy: -133.297 flat angles P-C4'-P energy: -80.080 tors. eta vs tors. theta energy: -110.631 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: 7, replica: 7 ===================================== Write number: 135 Temperature: 1.200000 Total energy: -1127.474120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1127.474120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1127.474120 (E_RNA) where: Base-Base interactions energy: -674.151 where: short stacking energy: -325.811 Base-Backbone interact. energy: -2.467 local terms energy: -450.856767 where: bonds (distance) C4'-P energy: -119.508 bonds (distance) P-C4' energy: -107.669 flat angles C4'-P-C4' energy: -97.314 flat angles P-C4'-P energy: -72.232 tors. eta vs tors. theta energy: -54.134 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: 1 ===================================== Write number: 135 Temperature: 1.250000 Total energy: -957.368807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -957.368807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -957.368807 (E_RNA) where: Base-Base interactions energy: -530.202 where: short stacking energy: -264.255 Base-Backbone interact. energy: 2.435 local terms energy: -429.602230 where: bonds (distance) C4'-P energy: -102.253 bonds (distance) P-C4' energy: -123.379 flat angles C4'-P-C4' energy: -110.205 flat angles P-C4'-P energy: -55.593 tors. eta vs tors. theta energy: -38.172 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 135 Temperature: 1.300000 Total energy: -519.668555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -519.668555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -519.668555 (E_RNA) where: Base-Base interactions energy: -188.366 where: short stacking energy: -152.940 Base-Backbone interact. energy: -3.990 local terms energy: -327.312590 where: bonds (distance) C4'-P energy: -85.774 bonds (distance) P-C4' energy: -120.019 flat angles C4'-P-C4' energy: -74.244 flat angles P-C4'-P energy: -53.021 tors. eta vs tors. theta energy: 5.746 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 135 Temperature: 1.350000 Total energy: -495.014724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -495.014724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -495.014724 (E_RNA) where: Base-Base interactions energy: -170.119 where: short stacking energy: -138.247 Base-Backbone interact. energy: 3.308 local terms energy: -328.203848 where: bonds (distance) C4'-P energy: -112.349 bonds (distance) P-C4' energy: -117.386 flat angles C4'-P-C4' energy: -72.493 flat angles P-C4'-P energy: -60.073 tors. eta vs tors. theta energy: 34.097 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 136 Temperature: 0.900000 Total energy: -2143.942939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2143.942939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2143.942939 (E_RNA) where: Base-Base interactions energy: -1429.901 where: short stacking energy: -611.213 Base-Backbone interact. energy: -4.156 local terms energy: -709.886486 where: bonds (distance) C4'-P energy: -131.244 bonds (distance) P-C4' energy: -143.523 flat angles C4'-P-C4' energy: -152.856 flat angles P-C4'-P energy: -90.883 tors. eta vs tors. theta energy: -191.381 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: 136 Temperature: 0.950000 Total energy: -2127.607220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2127.607220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2127.607220 (E_RNA) where: Base-Base interactions energy: -1459.938 where: short stacking energy: -600.450 Base-Backbone interact. energy: -4.366 local terms energy: -663.303103 where: bonds (distance) C4'-P energy: -122.292 bonds (distance) P-C4' energy: -133.464 flat angles C4'-P-C4' energy: -146.521 flat angles P-C4'-P energy: -70.336 tors. eta vs tors. theta energy: -190.689 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 136 Temperature: 1.000000 Total energy: -1989.691647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1989.691647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1989.691647 (E_RNA) where: Base-Base interactions energy: -1341.223 where: short stacking energy: -568.009 Base-Backbone interact. energy: -1.467 local terms energy: -647.001879 where: bonds (distance) C4'-P energy: -121.688 bonds (distance) P-C4' energy: -130.760 flat angles C4'-P-C4' energy: -138.386 flat angles P-C4'-P energy: -84.617 tors. eta vs tors. theta energy: -171.552 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 136 Temperature: 1.050000 Total energy: -1925.768541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1925.768541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1925.768541 (E_RNA) where: Base-Base interactions energy: -1299.532 where: short stacking energy: -535.786 Base-Backbone interact. energy: 5.020 local terms energy: -631.257102 where: bonds (distance) C4'-P energy: -120.761 bonds (distance) P-C4' energy: -134.538 flat angles C4'-P-C4' energy: -125.741 flat angles P-C4'-P energy: -83.028 tors. eta vs tors. theta energy: -167.190 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: 4 ===================================== Write number: 136 Temperature: 1.100000 Total energy: -1640.661925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1640.661925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1640.661925 (E_RNA) where: Base-Base interactions energy: -1057.185 where: short stacking energy: -471.880 Base-Backbone interact. energy: -0.880 local terms energy: -582.596936 where: bonds (distance) C4'-P energy: -120.749 bonds (distance) P-C4' energy: -132.054 flat angles C4'-P-C4' energy: -124.329 flat angles P-C4'-P energy: -84.683 tors. eta vs tors. theta energy: -120.782 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 136 Temperature: 1.150000 Total energy: -1508.198968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1508.198968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1508.198968 (E_RNA) where: Base-Base interactions energy: -977.286 where: short stacking energy: -427.962 Base-Backbone interact. energy: -4.917 local terms energy: -525.996084 where: bonds (distance) C4'-P energy: -96.355 bonds (distance) P-C4' energy: -112.544 flat angles C4'-P-C4' energy: -120.076 flat angles P-C4'-P energy: -82.498 tors. eta vs tors. theta energy: -114.524 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: 7 ===================================== Write number: 136 Temperature: 1.200000 Total energy: -1157.841886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1157.841886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1157.841886 (E_RNA) where: Base-Base interactions energy: -681.214 where: short stacking energy: -319.619 Base-Backbone interact. energy: -2.256 local terms energy: -474.400576 where: bonds (distance) C4'-P energy: -111.266 bonds (distance) P-C4' energy: -103.795 flat angles C4'-P-C4' energy: -120.012 flat angles P-C4'-P energy: -68.237 tors. eta vs tors. theta energy: -71.090 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.029 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 136 Temperature: 1.250000 Total energy: -960.147928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -960.147928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -960.147928 (E_RNA) where: Base-Base interactions energy: -513.507 where: short stacking energy: -272.984 Base-Backbone interact. energy: 1.069 local terms energy: -447.710335 where: bonds (distance) C4'-P energy: -107.227 bonds (distance) P-C4' energy: -118.582 flat angles C4'-P-C4' energy: -114.460 flat angles P-C4'-P energy: -55.985 tors. eta vs tors. theta energy: -51.457 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: 9, replica: 9 ===================================== Write number: 136 Temperature: 1.300000 Total energy: -532.833262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -532.833262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -532.833262 (E_RNA) where: Base-Base interactions energy: -171.507 where: short stacking energy: -139.566 Base-Backbone interact. energy: 1.162 local terms energy: -362.487852 where: bonds (distance) C4'-P energy: -103.777 bonds (distance) P-C4' energy: -127.582 flat angles C4'-P-C4' energy: -96.213 flat angles P-C4'-P energy: -51.652 tors. eta vs tors. theta energy: 16.736 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: 3 ===================================== Write number: 136 Temperature: 1.350000 Total energy: -578.587386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -578.587386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -578.587386 (E_RNA) where: Base-Base interactions energy: -258.872 where: short stacking energy: -164.398 Base-Backbone interact. energy: 4.091 local terms energy: -323.807173 where: bonds (distance) C4'-P energy: -95.459 bonds (distance) P-C4' energy: -105.914 flat angles C4'-P-C4' energy: -90.106 flat angles P-C4'-P energy: -45.149 tors. eta vs tors. theta energy: 12.820 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 137 Temperature: 0.900000 Total energy: -2159.581883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2159.581883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2159.581883 (E_RNA) where: Base-Base interactions energy: -1458.097 where: short stacking energy: -602.143 Base-Backbone interact. energy: -2.351 local terms energy: -699.133902 where: bonds (distance) C4'-P energy: -126.317 bonds (distance) P-C4' energy: -130.267 flat angles C4'-P-C4' energy: -151.892 flat angles P-C4'-P energy: -105.713 tors. eta vs tors. theta energy: -184.944 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: 10 ===================================== Write number: 137 Temperature: 0.950000 Total energy: -2097.561364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2097.561364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2097.561364 (E_RNA) where: Base-Base interactions energy: -1412.964 where: short stacking energy: -580.394 Base-Backbone interact. energy: -0.939 local terms energy: -683.658006 where: bonds (distance) C4'-P energy: -143.051 bonds (distance) P-C4' energy: -115.693 flat angles C4'-P-C4' energy: -146.338 flat angles P-C4'-P energy: -90.028 tors. eta vs tors. theta energy: -188.548 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: 5 ===================================== Write number: 137 Temperature: 1.000000 Total energy: -2003.638298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2003.638298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2003.638298 (E_RNA) where: Base-Base interactions energy: -1366.438 where: short stacking energy: -559.191 Base-Backbone interact. energy: -2.923 local terms energy: -634.276809 where: bonds (distance) C4'-P energy: -124.194 bonds (distance) P-C4' energy: -122.582 flat angles C4'-P-C4' energy: -124.440 flat angles P-C4'-P energy: -93.908 tors. eta vs tors. theta energy: -169.154 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: 8 ===================================== Write number: 137 Temperature: 1.050000 Total energy: -1891.104742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1891.104742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1891.104742 (E_RNA) where: Base-Base interactions energy: -1257.828 where: short stacking energy: -527.205 Base-Backbone interact. energy: 2.908 local terms energy: -636.185034 where: bonds (distance) C4'-P energy: -116.968 bonds (distance) P-C4' energy: -129.414 flat angles C4'-P-C4' energy: -140.628 flat angles P-C4'-P energy: -91.715 tors. eta vs tors. theta energy: -157.460 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: 4 ===================================== Write number: 137 Temperature: 1.100000 Total energy: -1615.074920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1615.074920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1615.074920 (E_RNA) where: Base-Base interactions energy: -1044.759 where: short stacking energy: -481.217 Base-Backbone interact. energy: 7.692 local terms energy: -578.008170 where: bonds (distance) C4'-P energy: -116.372 bonds (distance) P-C4' energy: -113.260 flat angles C4'-P-C4' energy: -116.390 flat angles P-C4'-P energy: -92.668 tors. eta vs tors. theta energy: -139.319 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: 2 ===================================== Write number: 137 Temperature: 1.150000 Total energy: -1462.437338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1462.437338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1462.437338 (E_RNA) where: Base-Base interactions energy: -950.870 where: short stacking energy: -399.324 Base-Backbone interact. energy: -0.827 local terms energy: -512.210750 where: bonds (distance) C4'-P energy: -128.532 bonds (distance) P-C4' energy: -105.484 flat angles C4'-P-C4' energy: -120.939 flat angles P-C4'-P energy: -67.589 tors. eta vs tors. theta energy: -89.668 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 1.471 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 137 Temperature: 1.200000 Total energy: -1185.118533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1185.118533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1185.118533 (E_RNA) where: Base-Base interactions energy: -718.375 where: short stacking energy: -332.680 Base-Backbone interact. energy: -2.093 local terms energy: -464.650695 where: bonds (distance) C4'-P energy: -108.389 bonds (distance) P-C4' energy: -139.240 flat angles C4'-P-C4' energy: -103.948 flat angles P-C4'-P energy: -46.115 tors. eta vs tors. theta energy: -66.959 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: 1 ===================================== Write number: 137 Temperature: 1.250000 Total energy: -982.128658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -982.128658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -982.128658 (E_RNA) where: Base-Base interactions energy: -549.066 where: short stacking energy: -263.750 Base-Backbone interact. energy: 0.374 local terms energy: -433.437099 where: bonds (distance) C4'-P energy: -125.344 bonds (distance) P-C4' energy: -121.578 flat angles C4'-P-C4' energy: -96.076 flat angles P-C4'-P energy: -77.401 tors. eta vs tors. theta energy: -13.038 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: 9 ===================================== Write number: 137 Temperature: 1.300000 Total energy: -524.393200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -524.393200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -524.393200 (E_RNA) where: Base-Base interactions energy: -184.085 where: short stacking energy: -146.320 Base-Backbone interact. energy: 4.167 local terms energy: -344.475878 where: bonds (distance) C4'-P energy: -118.902 bonds (distance) P-C4' energy: -112.208 flat angles C4'-P-C4' energy: -95.544 flat angles P-C4'-P energy: -51.647 tors. eta vs tors. theta energy: 33.826 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 137 Temperature: 1.350000 Total energy: -561.198789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -561.198789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -561.198789 (E_RNA) where: Base-Base interactions energy: -215.186 where: short stacking energy: -149.728 Base-Backbone interact. energy: -0.121 local terms energy: -345.892204 where: bonds (distance) C4'-P energy: -119.512 bonds (distance) P-C4' energy: -109.469 flat angles C4'-P-C4' energy: -99.147 flat angles P-C4'-P energy: -45.554 tors. eta vs tors. theta energy: 27.790 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: 1, replica: 6 ===================================== Write number: 138 Temperature: 0.900000 Total energy: -2158.228442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2158.228442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2158.228442 (E_RNA) where: Base-Base interactions energy: -1456.787 where: short stacking energy: -613.123 Base-Backbone interact. energy: -3.947 local terms energy: -697.494795 where: bonds (distance) C4'-P energy: -125.505 bonds (distance) P-C4' energy: -131.666 flat angles C4'-P-C4' energy: -148.822 flat angles P-C4'-P energy: -96.821 tors. eta vs tors. theta energy: -194.681 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: 138 Temperature: 0.950000 Total energy: -2082.661822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2082.661822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2082.661822 (E_RNA) where: Base-Base interactions energy: -1389.295 where: short stacking energy: -576.515 Base-Backbone interact. energy: -2.169 local terms energy: -691.198138 where: bonds (distance) C4'-P energy: -129.722 bonds (distance) P-C4' energy: -146.600 flat angles C4'-P-C4' energy: -137.616 flat angles P-C4'-P energy: -93.722 tors. eta vs tors. theta energy: -183.538 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 138 Temperature: 1.000000 Total energy: -2044.853956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2044.853956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2044.853956 (E_RNA) where: Base-Base interactions energy: -1357.816 where: short stacking energy: -584.599 Base-Backbone interact. energy: -1.792 local terms energy: -685.246886 where: bonds (distance) C4'-P energy: -125.141 bonds (distance) P-C4' energy: -136.736 flat angles C4'-P-C4' energy: -145.691 flat angles P-C4'-P energy: -95.166 tors. eta vs tors. theta energy: -182.513 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 138 Temperature: 1.050000 Total energy: -1857.394741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1857.394741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1857.394741 (E_RNA) where: Base-Base interactions energy: -1223.253 where: short stacking energy: -524.005 Base-Backbone interact. energy: -2.264 local terms energy: -631.877596 where: bonds (distance) C4'-P energy: -119.211 bonds (distance) P-C4' energy: -118.053 flat angles C4'-P-C4' energy: -142.013 flat angles P-C4'-P energy: -93.924 tors. eta vs tors. theta energy: -158.676 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: 4 ===================================== Write number: 138 Temperature: 1.100000 Total energy: -1643.677223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1643.677223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1643.677223 (E_RNA) where: Base-Base interactions energy: -1113.235 where: short stacking energy: -484.061 Base-Backbone interact. energy: -1.742 local terms energy: -528.699494 where: bonds (distance) C4'-P energy: -96.900 bonds (distance) P-C4' energy: -110.834 flat angles C4'-P-C4' energy: -123.985 flat angles P-C4'-P energy: -72.777 tors. eta vs tors. theta energy: -124.203 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 138 Temperature: 1.150000 Total energy: -1473.755941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1473.755941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1473.755941 (E_RNA) where: Base-Base interactions energy: -946.028 where: short stacking energy: -405.737 Base-Backbone interact. energy: -1.107 local terms energy: -526.621236 where: bonds (distance) C4'-P energy: -128.169 bonds (distance) P-C4' energy: -109.640 flat angles C4'-P-C4' energy: -103.504 flat angles P-C4'-P energy: -87.029 tors. eta vs tors. theta energy: -98.279 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 138 Temperature: 1.200000 Total energy: -1231.952900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1231.952900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1231.952900 (E_RNA) where: Base-Base interactions energy: -744.401 where: short stacking energy: -341.646 Base-Backbone interact. energy: -1.528 local terms energy: -486.023929 where: bonds (distance) C4'-P energy: -123.360 bonds (distance) P-C4' energy: -91.942 flat angles C4'-P-C4' energy: -116.445 flat angles P-C4'-P energy: -78.892 tors. eta vs tors. theta energy: -75.386 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 138 Temperature: 1.250000 Total energy: -946.331502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -946.331502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -946.331502 (E_RNA) where: Base-Base interactions energy: -541.471 where: short stacking energy: -258.825 Base-Backbone interact. energy: 1.129 local terms energy: -405.989494 where: bonds (distance) C4'-P energy: -111.613 bonds (distance) P-C4' energy: -116.851 flat angles C4'-P-C4' energy: -82.736 flat angles P-C4'-P energy: -51.579 tors. eta vs tors. theta energy: -43.210 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 138 Temperature: 1.300000 Total energy: -560.333410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -560.333410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -560.333410 (E_RNA) where: Base-Base interactions energy: -191.677 where: short stacking energy: -134.645 Base-Backbone interact. energy: -0.956 local terms energy: -367.699583 where: bonds (distance) C4'-P energy: -110.895 bonds (distance) P-C4' energy: -120.203 flat angles C4'-P-C4' energy: -92.491 flat angles P-C4'-P energy: -71.986 tors. eta vs tors. theta energy: 27.875 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 138 Temperature: 1.350000 Total energy: -494.296688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -494.296688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -494.296688 (E_RNA) where: Base-Base interactions energy: -209.090 where: short stacking energy: -164.161 Base-Backbone interact. energy: 0.303 local terms energy: -285.510160 where: bonds (distance) C4'-P energy: -106.773 bonds (distance) P-C4' energy: -94.131 flat angles C4'-P-C4' energy: -78.389 flat angles P-C4'-P energy: -37.952 tors. eta vs tors. theta energy: 31.734 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: 6 ===================================== Write number: 139 Temperature: 0.900000 Total energy: -2116.110166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2116.110166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2116.110166 (E_RNA) where: Base-Base interactions energy: -1428.214 where: short stacking energy: -604.106 Base-Backbone interact. energy: -2.887 local terms energy: -685.009327 where: bonds (distance) C4'-P energy: -135.016 bonds (distance) P-C4' energy: -127.710 flat angles C4'-P-C4' energy: -147.285 flat angles P-C4'-P energy: -94.888 tors. eta vs tors. theta energy: -180.111 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: 139 Temperature: 0.950000 Total energy: -2089.890431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2089.890431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2089.890431 (E_RNA) where: Base-Base interactions energy: -1394.910 where: short stacking energy: -586.668 Base-Backbone interact. energy: -2.013 local terms energy: -692.967487 where: bonds (distance) C4'-P energy: -133.194 bonds (distance) P-C4' energy: -136.780 flat angles C4'-P-C4' energy: -148.246 flat angles P-C4'-P energy: -88.795 tors. eta vs tors. theta energy: -185.952 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 139 Temperature: 1.000000 Total energy: -2012.790265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2012.790265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2012.790265 (E_RNA) where: Base-Base interactions energy: -1320.404 where: short stacking energy: -555.811 Base-Backbone interact. energy: -3.627 local terms energy: -688.758934 where: bonds (distance) C4'-P energy: -134.306 bonds (distance) P-C4' energy: -136.098 flat angles C4'-P-C4' energy: -140.486 flat angles P-C4'-P energy: -95.416 tors. eta vs tors. theta energy: -182.453 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: 8 ===================================== Write number: 139 Temperature: 1.050000 Total energy: -1833.468406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1833.468406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1833.468406 (E_RNA) where: Base-Base interactions energy: -1197.202 where: short stacking energy: -509.453 Base-Backbone interact. energy: -2.774 local terms energy: -633.492203 where: bonds (distance) C4'-P energy: -133.569 bonds (distance) P-C4' energy: -119.901 flat angles C4'-P-C4' energy: -135.416 flat angles P-C4'-P energy: -87.683 tors. eta vs tors. theta energy: -156.923 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: 4 ===================================== Write number: 139 Temperature: 1.100000 Total energy: -1586.319005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1586.319005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1586.319005 (E_RNA) where: Base-Base interactions energy: -1013.363 where: short stacking energy: -446.027 Base-Backbone interact. energy: -4.035 local terms energy: -568.920961 where: bonds (distance) C4'-P energy: -117.817 bonds (distance) P-C4' energy: -113.525 flat angles C4'-P-C4' energy: -119.529 flat angles P-C4'-P energy: -92.047 tors. eta vs tors. theta energy: -126.003 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: 2 ===================================== Write number: 139 Temperature: 1.150000 Total energy: -1536.124775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1536.124775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1536.124775 (E_RNA) where: Base-Base interactions energy: -976.970 where: short stacking energy: -425.535 Base-Backbone interact. energy: -1.378 local terms energy: -557.776472 where: bonds (distance) C4'-P energy: -98.108 bonds (distance) P-C4' energy: -122.447 flat angles C4'-P-C4' energy: -130.539 flat angles P-C4'-P energy: -99.680 tors. eta vs tors. theta energy: -107.003 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: 7, replica: 7 ===================================== Write number: 139 Temperature: 1.200000 Total energy: -1271.014423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1271.014423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1271.014423 (E_RNA) where: Base-Base interactions energy: -782.342 where: short stacking energy: -350.132 Base-Backbone interact. energy: -0.080 local terms energy: -488.592353 where: bonds (distance) C4'-P energy: -114.169 bonds (distance) P-C4' energy: -118.495 flat angles C4'-P-C4' energy: -112.029 flat angles P-C4'-P energy: -76.033 tors. eta vs tors. theta energy: -67.866 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 139 Temperature: 1.250000 Total energy: -1075.071868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1075.071868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1075.071868 (E_RNA) where: Base-Base interactions energy: -627.690 where: short stacking energy: -293.417 Base-Backbone interact. energy: -2.291 local terms energy: -445.090800 where: bonds (distance) C4'-P energy: -104.063 bonds (distance) P-C4' energy: -121.138 flat angles C4'-P-C4' energy: -106.513 flat angles P-C4'-P energy: -72.457 tors. eta vs tors. theta energy: -40.920 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 139 Temperature: 1.300000 Total energy: -602.327080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -602.327080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -602.327080 (E_RNA) where: Base-Base interactions energy: -261.251 where: short stacking energy: -175.429 Base-Backbone interact. energy: 1.507 local terms energy: -342.583064 where: bonds (distance) C4'-P energy: -99.429 bonds (distance) P-C4' energy: -111.972 flat angles C4'-P-C4' energy: -90.355 flat angles P-C4'-P energy: -48.455 tors. eta vs tors. theta energy: 7.628 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: 10, replica: 9 ===================================== Write number: 139 Temperature: 1.350000 Total energy: -466.207425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -466.207425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -466.207425 (E_RNA) where: Base-Base interactions energy: -172.809 where: short stacking energy: -116.240 Base-Backbone interact. energy: -3.691 local terms energy: -289.707542 where: bonds (distance) C4'-P energy: -95.332 bonds (distance) P-C4' energy: -99.497 flat angles C4'-P-C4' energy: -94.204 flat angles P-C4'-P energy: -39.595 tors. eta vs tors. theta energy: 38.920 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: 10 ===================================== Write number: 140 Temperature: 0.900000 Total energy: -2167.132923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2167.132923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2167.132923 (E_RNA) where: Base-Base interactions energy: -1458.806 where: short stacking energy: -602.638 Base-Backbone interact. energy: 3.745 local terms energy: -712.071640 where: bonds (distance) C4'-P energy: -129.948 bonds (distance) P-C4' energy: -139.209 flat angles C4'-P-C4' energy: -150.270 flat angles P-C4'-P energy: -104.627 tors. eta vs tors. theta energy: -188.018 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 140 Temperature: 0.950000 Total energy: -2082.592688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2082.592688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2082.592688 (E_RNA) where: Base-Base interactions energy: -1403.484 where: short stacking energy: -603.344 Base-Backbone interact. energy: -3.924 local terms energy: -675.184018 where: bonds (distance) C4'-P energy: -122.737 bonds (distance) P-C4' energy: -118.300 flat angles C4'-P-C4' energy: -150.822 flat angles P-C4'-P energy: -94.416 tors. eta vs tors. theta energy: -188.909 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: 5 ===================================== Write number: 140 Temperature: 1.000000 Total energy: -2035.052449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2035.052449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2035.052449 (E_RNA) where: Base-Base interactions energy: -1357.721 where: short stacking energy: -579.704 Base-Backbone interact. energy: -3.462 local terms energy: -673.869265 where: bonds (distance) C4'-P energy: -137.251 bonds (distance) P-C4' energy: -146.485 flat angles C4'-P-C4' energy: -141.510 flat angles P-C4'-P energy: -78.428 tors. eta vs tors. theta energy: -170.195 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 140 Temperature: 1.050000 Total energy: -1823.709085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1823.709085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1823.709085 (E_RNA) where: Base-Base interactions energy: -1191.927 where: short stacking energy: -526.057 Base-Backbone interact. energy: -1.950 local terms energy: -629.832469 where: bonds (distance) C4'-P energy: -127.581 bonds (distance) P-C4' energy: -133.881 flat angles C4'-P-C4' energy: -137.131 flat angles P-C4'-P energy: -77.425 tors. eta vs tors. theta energy: -153.814 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 140 Temperature: 1.100000 Total energy: -1646.452811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1646.452811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1646.452811 (E_RNA) where: Base-Base interactions energy: -1080.134 where: short stacking energy: -462.625 Base-Backbone interact. energy: -1.057 local terms energy: -565.261372 where: bonds (distance) C4'-P energy: -106.296 bonds (distance) P-C4' energy: -116.140 flat angles C4'-P-C4' energy: -128.702 flat angles P-C4'-P energy: -90.628 tors. eta vs tors. theta energy: -123.495 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: 4 ===================================== Write number: 140 Temperature: 1.150000 Total energy: -1488.719171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1488.719171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1488.719171 (E_RNA) where: Base-Base interactions energy: -951.458 where: short stacking energy: -391.892 Base-Backbone interact. energy: -2.202 local terms energy: -535.058737 where: bonds (distance) C4'-P energy: -116.487 bonds (distance) P-C4' energy: -121.834 flat angles C4'-P-C4' energy: -113.987 flat angles P-C4'-P energy: -77.539 tors. eta vs tors. theta energy: -105.213 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 140 Temperature: 1.200000 Total energy: -1241.536115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1241.536115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1241.536115 (E_RNA) where: Base-Base interactions energy: -734.808 where: short stacking energy: -351.377 Base-Backbone interact. energy: 2.279 local terms energy: -509.007727 where: bonds (distance) C4'-P energy: -118.344 bonds (distance) P-C4' energy: -103.999 flat angles C4'-P-C4' energy: -129.818 flat angles P-C4'-P energy: -73.744 tors. eta vs tors. theta energy: -83.102 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 140 Temperature: 1.250000 Total energy: -1070.660471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1070.660471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1070.660471 (E_RNA) where: Base-Base interactions energy: -652.714 where: short stacking energy: -309.574 Base-Backbone interact. energy: 1.275 local terms energy: -419.221404 where: bonds (distance) C4'-P energy: -106.689 bonds (distance) P-C4' energy: -99.932 flat angles C4'-P-C4' energy: -117.629 flat angles P-C4'-P energy: -31.302 tors. eta vs tors. theta energy: -63.669 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 140 Temperature: 1.300000 Total energy: -711.753379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -711.753379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -711.753379 (E_RNA) where: Base-Base interactions energy: -342.101 where: short stacking energy: -186.517 Base-Backbone interact. energy: -2.129 local terms energy: -367.522952 where: bonds (distance) C4'-P energy: -112.789 bonds (distance) P-C4' energy: -112.839 flat angles C4'-P-C4' energy: -97.045 flat angles P-C4'-P energy: -44.992 tors. eta vs tors. theta energy: 0.142 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: 9 ===================================== Write number: 140 Temperature: 1.350000 Total energy: -484.156512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -484.156512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -484.156512 (E_RNA) where: Base-Base interactions energy: -154.271 where: short stacking energy: -124.991 Base-Backbone interact. energy: 8.063 local terms energy: -337.947721 where: bonds (distance) C4'-P energy: -104.067 bonds (distance) P-C4' energy: -123.368 flat angles C4'-P-C4' energy: -89.083 flat angles P-C4'-P energy: -50.317 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: 1, replica: 10 ===================================== Write number: 141 Temperature: 0.900000 Total energy: -2152.294964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2152.294964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2152.294964 (E_RNA) where: Base-Base interactions energy: -1458.982 where: short stacking energy: -587.261 Base-Backbone interact. energy: 2.125 local terms energy: -695.437612 where: bonds (distance) C4'-P energy: -132.756 bonds (distance) P-C4' energy: -144.219 flat angles C4'-P-C4' energy: -158.271 flat angles P-C4'-P energy: -91.913 tors. eta vs tors. theta energy: -168.278 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: 6 ===================================== Write number: 141 Temperature: 0.950000 Total energy: -2118.555739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2118.555739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2118.555739 (E_RNA) where: Base-Base interactions energy: -1429.619 where: short stacking energy: -603.637 Base-Backbone interact. energy: -1.898 local terms energy: -687.039470 where: bonds (distance) C4'-P energy: -133.333 bonds (distance) P-C4' energy: -117.590 flat angles C4'-P-C4' energy: -155.555 flat angles P-C4'-P energy: -102.556 tors. eta vs tors. theta energy: -178.005 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 141 Temperature: 1.000000 Total energy: -2008.064535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2008.064535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2008.064535 (E_RNA) where: Base-Base interactions energy: -1344.383 where: short stacking energy: -559.666 Base-Backbone interact. energy: -2.348 local terms energy: -661.333979 where: bonds (distance) C4'-P energy: -116.930 bonds (distance) P-C4' energy: -133.467 flat angles C4'-P-C4' energy: -141.333 flat angles P-C4'-P energy: -86.904 tors. eta vs tors. theta energy: -182.701 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 141 Temperature: 1.050000 Total energy: -1770.258685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1770.258685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1770.258685 (E_RNA) where: Base-Base interactions energy: -1138.493 where: short stacking energy: -513.315 Base-Backbone interact. energy: 0.213 local terms energy: -631.978678 where: bonds (distance) C4'-P energy: -125.088 bonds (distance) P-C4' energy: -110.867 flat angles C4'-P-C4' energy: -145.150 flat angles P-C4'-P energy: -90.628 tors. eta vs tors. theta energy: -160.246 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: 5, replica: 2 ===================================== Write number: 141 Temperature: 1.100000 Total energy: -1623.649605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1623.649605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1623.649605 (E_RNA) where: Base-Base interactions energy: -1058.208 where: short stacking energy: -463.723 Base-Backbone interact. energy: -3.278 local terms energy: -562.163535 where: bonds (distance) C4'-P energy: -106.795 bonds (distance) P-C4' energy: -127.700 flat angles C4'-P-C4' energy: -120.115 flat angles P-C4'-P energy: -80.497 tors. eta vs tors. theta energy: -127.056 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 141 Temperature: 1.150000 Total energy: -1414.861717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1414.861717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1414.861717 (E_RNA) where: Base-Base interactions energy: -897.579 where: short stacking energy: -394.466 Base-Backbone interact. energy: 0.197 local terms energy: -517.479689 where: bonds (distance) C4'-P energy: -129.041 bonds (distance) P-C4' energy: -129.012 flat angles C4'-P-C4' energy: -95.521 flat angles P-C4'-P energy: -66.690 tors. eta vs tors. theta energy: -97.216 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 141 Temperature: 1.200000 Total energy: -1238.790659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1238.790659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1238.790659 (E_RNA) where: Base-Base interactions energy: -765.145 where: short stacking energy: -336.302 Base-Backbone interact. energy: -3.457 local terms energy: -470.188985 where: bonds (distance) C4'-P energy: -105.830 bonds (distance) P-C4' energy: -115.204 flat angles C4'-P-C4' energy: -116.570 flat angles P-C4'-P energy: -67.520 tors. eta vs tors. theta energy: -65.065 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: 1 ===================================== Write number: 141 Temperature: 1.250000 Total energy: -1009.977669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1009.977669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1009.977669 (E_RNA) where: Base-Base interactions energy: -583.297 where: short stacking energy: -282.577 Base-Backbone interact. energy: 0.680 local terms energy: -427.360347 where: bonds (distance) C4'-P energy: -115.450 bonds (distance) P-C4' energy: -111.792 flat angles C4'-P-C4' energy: -97.283 flat angles P-C4'-P energy: -62.242 tors. eta vs tors. theta energy: -40.594 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 141 Temperature: 1.300000 Total energy: -761.793429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -761.793429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -761.793429 (E_RNA) where: Base-Base interactions energy: -356.058 where: short stacking energy: -210.997 Base-Backbone interact. energy: -4.141 local terms energy: -401.594056 where: bonds (distance) C4'-P energy: -104.998 bonds (distance) P-C4' energy: -122.224 flat angles C4'-P-C4' energy: -96.377 flat angles P-C4'-P energy: -68.709 tors. eta vs tors. theta energy: -9.286 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: 9 ===================================== Write number: 141 Temperature: 1.350000 Total energy: -461.185862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -461.185862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -461.185862 (E_RNA) where: Base-Base interactions energy: -116.811 where: short stacking energy: -89.139 Base-Backbone interact. energy: 0.764 local terms energy: -345.138552 where: bonds (distance) C4'-P energy: -105.051 bonds (distance) P-C4' energy: -117.396 flat angles C4'-P-C4' energy: -86.116 flat angles P-C4'-P energy: -65.100 tors. eta vs tors. theta energy: 28.525 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: 10 ===================================== Write number: 142 Temperature: 0.900000 Total energy: -2168.564181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2168.564181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2168.564181 (E_RNA) where: Base-Base interactions energy: -1480.469 where: short stacking energy: -613.395 Base-Backbone interact. energy: 0.170 local terms energy: -688.265112 where: bonds (distance) C4'-P energy: -135.040 bonds (distance) P-C4' energy: -122.085 flat angles C4'-P-C4' energy: -150.546 flat angles P-C4'-P energy: -98.870 tors. eta vs tors. theta energy: -181.725 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 142 Temperature: 0.950000 Total energy: -2128.800244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2128.800244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2128.800244 (E_RNA) where: Base-Base interactions energy: -1447.623 where: short stacking energy: -605.800 Base-Backbone interact. energy: 0.112 local terms energy: -681.289323 where: bonds (distance) C4'-P energy: -126.381 bonds (distance) P-C4' energy: -133.649 flat angles C4'-P-C4' energy: -155.855 flat angles P-C4'-P energy: -82.350 tors. eta vs tors. theta energy: -183.055 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 142 Temperature: 1.000000 Total energy: -2017.132270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2017.132270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2017.132270 (E_RNA) where: Base-Base interactions energy: -1343.136 where: short stacking energy: -555.555 Base-Backbone interact. energy: -2.237 local terms energy: -671.759037 where: bonds (distance) C4'-P energy: -116.016 bonds (distance) P-C4' energy: -138.943 flat angles C4'-P-C4' energy: -128.596 flat angles P-C4'-P energy: -106.512 tors. eta vs tors. theta energy: -181.691 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 142 Temperature: 1.050000 Total energy: -1823.917459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1823.917459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1823.917459 (E_RNA) where: Base-Base interactions energy: -1208.849 where: short stacking energy: -513.577 Base-Backbone interact. energy: -2.748 local terms energy: -612.320322 where: bonds (distance) C4'-P energy: -110.906 bonds (distance) P-C4' energy: -121.102 flat angles C4'-P-C4' energy: -128.038 flat angles P-C4'-P energy: -93.197 tors. eta vs tors. theta energy: -159.078 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: 2 ===================================== Write number: 142 Temperature: 1.100000 Total energy: -1715.617598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1715.617598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1715.617598 (E_RNA) where: Base-Base interactions energy: -1115.263 where: short stacking energy: -509.471 Base-Backbone interact. energy: -1.659 local terms energy: -598.695469 where: bonds (distance) C4'-P energy: -123.634 bonds (distance) P-C4' energy: -123.209 flat angles C4'-P-C4' energy: -133.708 flat angles P-C4'-P energy: -73.299 tors. eta vs tors. theta energy: -144.845 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: 4 ===================================== Write number: 142 Temperature: 1.150000 Total energy: -1509.392076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1509.392076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1509.392076 (E_RNA) where: Base-Base interactions energy: -951.341 where: short stacking energy: -420.845 Base-Backbone interact. energy: 0.283 local terms energy: -558.334109 where: bonds (distance) C4'-P energy: -112.160 bonds (distance) P-C4' energy: -131.475 flat angles C4'-P-C4' energy: -128.525 flat angles P-C4'-P energy: -75.929 tors. eta vs tors. theta energy: -110.245 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: 7 ===================================== Write number: 142 Temperature: 1.200000 Total energy: -1189.447354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1189.447354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1189.447354 (E_RNA) where: Base-Base interactions energy: -735.257 where: short stacking energy: -334.961 Base-Backbone interact. energy: 3.334 local terms energy: -457.523808 where: bonds (distance) C4'-P energy: -102.916 bonds (distance) P-C4' energy: -112.456 flat angles C4'-P-C4' energy: -112.776 flat angles P-C4'-P energy: -71.337 tors. eta vs tors. theta energy: -58.040 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 142 Temperature: 1.250000 Total energy: -973.634439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -973.634439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -973.634439 (E_RNA) where: Base-Base interactions energy: -557.919 where: short stacking energy: -275.726 Base-Backbone interact. energy: 0.877 local terms energy: -416.592405 where: bonds (distance) C4'-P energy: -114.358 bonds (distance) P-C4' energy: -107.587 flat angles C4'-P-C4' energy: -91.083 flat angles P-C4'-P energy: -78.740 tors. eta vs tors. theta energy: -24.825 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 142 Temperature: 1.300000 Total energy: -684.405832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -684.405832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -684.405832 (E_RNA) where: Base-Base interactions energy: -278.143 where: short stacking energy: -170.116 Base-Backbone interact. energy: 0.173 local terms energy: -406.435820 where: bonds (distance) C4'-P energy: -113.067 bonds (distance) P-C4' energy: -115.364 flat angles C4'-P-C4' energy: -110.337 flat angles P-C4'-P energy: -69.257 tors. eta vs tors. theta energy: 1.589 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: 10, replica: 9 ===================================== Write number: 142 Temperature: 1.350000 Total energy: -519.613279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -519.613279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -519.613279 (E_RNA) where: Base-Base interactions energy: -195.218 where: short stacking energy: -150.251 Base-Backbone interact. energy: -2.076 local terms energy: -322.319741 where: bonds (distance) C4'-P energy: -100.520 bonds (distance) P-C4' energy: -101.652 flat angles C4'-P-C4' energy: -88.040 flat angles P-C4'-P energy: -39.443 tors. eta vs tors. theta energy: 7.336 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: 10 ===================================== Write number: 143 Temperature: 0.900000 Total energy: -2133.502042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2133.502042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2133.502042 (E_RNA) where: Base-Base interactions energy: -1445.128 where: short stacking energy: -564.112 Base-Backbone interact. energy: -4.666 local terms energy: -683.708158 where: bonds (distance) C4'-P energy: -135.679 bonds (distance) P-C4' energy: -131.899 flat angles C4'-P-C4' energy: -145.232 flat angles P-C4'-P energy: -86.784 tors. eta vs tors. theta energy: -184.115 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: 2, replica: 6 ===================================== Write number: 143 Temperature: 0.950000 Total energy: -2115.949714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2115.949714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2115.949714 (E_RNA) where: Base-Base interactions energy: -1437.071 where: short stacking energy: -600.658 Base-Backbone interact. energy: -4.067 local terms energy: -674.811853 where: bonds (distance) C4'-P energy: -109.383 bonds (distance) P-C4' energy: -134.279 flat angles C4'-P-C4' energy: -147.407 flat angles P-C4'-P energy: -103.922 tors. eta vs tors. theta energy: -179.820 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: 3, replica: 5 ===================================== Write number: 143 Temperature: 1.000000 Total energy: -2009.486632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2009.486632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2009.486632 (E_RNA) where: Base-Base interactions energy: -1339.182 where: short stacking energy: -585.414 Base-Backbone interact. energy: -2.063 local terms energy: -668.241456 where: bonds (distance) C4'-P energy: -115.032 bonds (distance) P-C4' energy: -126.142 flat angles C4'-P-C4' energy: -136.640 flat angles P-C4'-P energy: -113.060 tors. eta vs tors. theta energy: -177.366 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: 143 Temperature: 1.050000 Total energy: -1730.550526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1730.550526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1730.550526 (E_RNA) where: Base-Base interactions energy: -1107.209 where: short stacking energy: -500.730 Base-Backbone interact. energy: -0.380 local terms energy: -622.961018 where: bonds (distance) C4'-P energy: -122.378 bonds (distance) P-C4' energy: -128.883 flat angles C4'-P-C4' energy: -137.892 flat angles P-C4'-P energy: -88.865 tors. eta vs tors. theta energy: -144.943 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 143 Temperature: 1.100000 Total energy: -1689.657998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1689.657998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1689.657998 (E_RNA) where: Base-Base interactions energy: -1093.768 where: short stacking energy: -493.146 Base-Backbone interact. energy: -2.330 local terms energy: -593.559663 where: bonds (distance) C4'-P energy: -119.244 bonds (distance) P-C4' energy: -112.839 flat angles C4'-P-C4' energy: -139.865 flat angles P-C4'-P energy: -82.873 tors. eta vs tors. theta energy: -138.739 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: 4 ===================================== Write number: 143 Temperature: 1.150000 Total energy: -1462.488407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1462.488407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1462.488407 (E_RNA) where: Base-Base interactions energy: -917.825 where: short stacking energy: -400.029 Base-Backbone interact. energy: 0.732 local terms energy: -545.395940 where: bonds (distance) C4'-P energy: -104.321 bonds (distance) P-C4' energy: -110.006 flat angles C4'-P-C4' energy: -138.814 flat angles P-C4'-P energy: -74.834 tors. eta vs tors. theta energy: -117.422 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 143 Temperature: 1.200000 Total energy: -1172.734859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1172.734859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1172.734859 (E_RNA) where: Base-Base interactions energy: -694.052 where: short stacking energy: -315.550 Base-Backbone interact. energy: -1.494 local terms energy: -477.188257 where: bonds (distance) C4'-P energy: -122.357 bonds (distance) P-C4' energy: -131.606 flat angles C4'-P-C4' energy: -95.806 flat angles P-C4'-P energy: -55.221 tors. eta vs tors. theta energy: -72.198 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 143 Temperature: 1.250000 Total energy: -951.169813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -951.169813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -951.169813 (E_RNA) where: Base-Base interactions energy: -536.748 where: short stacking energy: -259.191 Base-Backbone interact. energy: 2.661 local terms energy: -417.082707 where: bonds (distance) C4'-P energy: -102.852 bonds (distance) P-C4' energy: -105.325 flat angles C4'-P-C4' energy: -103.052 flat angles P-C4'-P energy: -69.319 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: 3 ===================================== Write number: 143 Temperature: 1.300000 Total energy: -642.318782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -642.318782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -642.318782 (E_RNA) where: Base-Base interactions energy: -327.511 where: short stacking energy: -170.331 Base-Backbone interact. energy: -0.803 local terms energy: -314.004126 where: bonds (distance) C4'-P energy: -107.190 bonds (distance) P-C4' energy: -90.736 flat angles C4'-P-C4' energy: -90.104 flat angles P-C4'-P energy: -44.856 tors. eta vs tors. theta energy: 18.881 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 143 Temperature: 1.350000 Total energy: -479.377345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -479.377345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -479.377345 (E_RNA) where: Base-Base interactions energy: -152.071 where: short stacking energy: -105.720 Base-Backbone interact. energy: -1.525 local terms energy: -325.781332 where: bonds (distance) C4'-P energy: -115.380 bonds (distance) P-C4' energy: -110.063 flat angles C4'-P-C4' energy: -96.290 flat angles P-C4'-P energy: -32.070 tors. eta vs tors. theta energy: 28.022 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: 6 ===================================== Write number: 144 Temperature: 0.900000 Total energy: -2148.024796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2148.024796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2148.024796 (E_RNA) where: Base-Base interactions energy: -1436.027 where: short stacking energy: -592.226 Base-Backbone interact. energy: -1.409 local terms energy: -710.588046 where: bonds (distance) C4'-P energy: -141.271 bonds (distance) P-C4' energy: -133.563 flat angles C4'-P-C4' energy: -160.061 flat angles P-C4'-P energy: -96.424 tors. eta vs tors. theta energy: -179.270 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: 144 Temperature: 0.950000 Total energy: -2067.063573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2067.063573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2067.063573 (E_RNA) where: Base-Base interactions energy: -1392.309 where: short stacking energy: -565.849 Base-Backbone interact. energy: -3.903 local terms energy: -670.851135 where: bonds (distance) C4'-P energy: -124.079 bonds (distance) P-C4' energy: -148.453 flat angles C4'-P-C4' energy: -129.449 flat angles P-C4'-P energy: -96.759 tors. eta vs tors. theta energy: -172.111 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: 3, replica: 5 ===================================== Write number: 144 Temperature: 1.000000 Total energy: -1979.145877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1979.145877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1979.145877 (E_RNA) where: Base-Base interactions energy: -1292.091 where: short stacking energy: -542.762 Base-Backbone interact. energy: -3.600 local terms energy: -683.455232 where: bonds (distance) C4'-P energy: -137.840 bonds (distance) P-C4' energy: -135.076 flat angles C4'-P-C4' energy: -152.915 flat angles P-C4'-P energy: -99.327 tors. eta vs tors. theta energy: -158.298 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: 8 ===================================== Write number: 144 Temperature: 1.050000 Total energy: -1731.869569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1731.869569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1731.869569 (E_RNA) where: Base-Base interactions energy: -1127.608 where: short stacking energy: -521.057 Base-Backbone interact. energy: -0.282 local terms energy: -603.979964 where: bonds (distance) C4'-P energy: -106.781 bonds (distance) P-C4' energy: -127.767 flat angles C4'-P-C4' energy: -133.694 flat angles P-C4'-P energy: -92.865 tors. eta vs tors. theta energy: -142.873 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 144 Temperature: 1.100000 Total energy: -1667.810873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1667.810873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1667.810873 (E_RNA) where: Base-Base interactions energy: -1117.419 where: short stacking energy: -494.814 Base-Backbone interact. energy: -0.090 local terms energy: -550.301968 where: bonds (distance) C4'-P energy: -97.328 bonds (distance) P-C4' energy: -122.325 flat angles C4'-P-C4' energy: -130.312 flat angles P-C4'-P energy: -61.678 tors. eta vs tors. theta energy: -138.659 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 144 Temperature: 1.150000 Total energy: -1413.741191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1413.741191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1413.741191 (E_RNA) where: Base-Base interactions energy: -892.821 where: short stacking energy: -402.064 Base-Backbone interact. energy: 8.069 local terms energy: -528.989036 where: bonds (distance) C4'-P energy: -113.694 bonds (distance) P-C4' energy: -123.453 flat angles C4'-P-C4' energy: -105.284 flat angles P-C4'-P energy: -85.809 tors. eta vs tors. theta energy: -100.749 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: 144 Temperature: 1.200000 Total energy: -1137.185221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1137.185221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1137.185221 (E_RNA) where: Base-Base interactions energy: -662.488 where: short stacking energy: -324.974 Base-Backbone interact. energy: 0.679 local terms energy: -475.375846 where: bonds (distance) C4'-P energy: -106.619 bonds (distance) P-C4' energy: -122.277 flat angles C4'-P-C4' energy: -128.106 flat angles P-C4'-P energy: -55.532 tors. eta vs tors. theta energy: -62.842 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 144 Temperature: 1.250000 Total energy: -959.204117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -959.204117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -959.204117 (E_RNA) where: Base-Base interactions energy: -526.110 where: short stacking energy: -233.505 Base-Backbone interact. energy: -4.633 local terms energy: -428.461591 where: bonds (distance) C4'-P energy: -120.925 bonds (distance) P-C4' energy: -125.676 flat angles C4'-P-C4' energy: -99.927 flat angles P-C4'-P energy: -57.523 tors. eta vs tors. theta energy: -24.410 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 144 Temperature: 1.300000 Total energy: -657.137441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -657.137441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -657.137441 (E_RNA) where: Base-Base interactions energy: -285.970 where: short stacking energy: -191.562 Base-Backbone interact. energy: -2.341 local terms energy: -368.826307 where: bonds (distance) C4'-P energy: -107.462 bonds (distance) P-C4' energy: -111.474 flat angles C4'-P-C4' energy: -96.428 flat angles P-C4'-P energy: -65.369 tors. eta vs tors. theta energy: 11.905 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 144 Temperature: 1.350000 Total energy: -509.726211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -509.726211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -509.726211 (E_RNA) where: Base-Base interactions energy: -162.967 where: short stacking energy: -103.959 Base-Backbone interact. energy: -0.158 local terms energy: -346.601113 where: bonds (distance) C4'-P energy: -105.748 bonds (distance) P-C4' energy: -122.575 flat angles C4'-P-C4' energy: -86.640 flat angles P-C4'-P energy: -66.260 tors. eta vs tors. theta energy: 34.622 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 145 Temperature: 0.900000 Total energy: -2150.131909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2150.131909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2150.131909 (E_RNA) where: Base-Base interactions energy: -1429.219 where: short stacking energy: -617.128 Base-Backbone interact. energy: -3.226 local terms energy: -717.687176 where: bonds (distance) C4'-P energy: -138.706 bonds (distance) P-C4' energy: -133.608 flat angles C4'-P-C4' energy: -164.202 flat angles P-C4'-P energy: -92.665 tors. eta vs tors. theta energy: -188.506 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 145 Temperature: 0.950000 Total energy: -2077.894372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2077.894372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2077.894372 (E_RNA) where: Base-Base interactions energy: -1405.372 where: short stacking energy: -596.556 Base-Backbone interact. energy: -2.157 local terms energy: -670.364903 where: bonds (distance) C4'-P energy: -128.061 bonds (distance) P-C4' energy: -119.098 flat angles C4'-P-C4' energy: -140.690 flat angles P-C4'-P energy: -109.952 tors. eta vs tors. theta energy: -172.563 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: 10 ===================================== Write number: 145 Temperature: 1.000000 Total energy: -2064.579094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2064.579094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2064.579094 (E_RNA) where: Base-Base interactions energy: -1425.354 where: short stacking energy: -578.489 Base-Backbone interact. energy: -1.867 local terms energy: -637.357879 where: bonds (distance) C4'-P energy: -114.308 bonds (distance) P-C4' energy: -113.339 flat angles C4'-P-C4' energy: -148.210 flat angles P-C4'-P energy: -77.462 tors. eta vs tors. theta energy: -184.039 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 145 Temperature: 1.050000 Total energy: -1767.717970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1767.717970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1767.717970 (E_RNA) where: Base-Base interactions energy: -1163.694 where: short stacking energy: -496.213 Base-Backbone interact. energy: -2.582 local terms energy: -601.441715 where: bonds (distance) C4'-P energy: -118.931 bonds (distance) P-C4' energy: -124.931 flat angles C4'-P-C4' energy: -117.733 flat angles P-C4'-P energy: -81.927 tors. eta vs tors. theta energy: -157.920 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 145 Temperature: 1.100000 Total energy: -1693.771179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1693.771179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1693.771179 (E_RNA) where: Base-Base interactions energy: -1112.349 where: short stacking energy: -493.957 Base-Backbone interact. energy: -1.427 local terms energy: -579.995302 where: bonds (distance) C4'-P energy: -126.008 bonds (distance) P-C4' energy: -101.300 flat angles C4'-P-C4' energy: -135.094 flat angles P-C4'-P energy: -80.025 tors. eta vs tors. theta energy: -137.569 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 145 Temperature: 1.150000 Total energy: -1422.443260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1422.443260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1422.443260 (E_RNA) where: Base-Base interactions energy: -903.322 where: short stacking energy: -402.651 Base-Backbone interact. energy: 2.194 local terms energy: -521.315933 where: bonds (distance) C4'-P energy: -118.146 bonds (distance) P-C4' energy: -105.026 flat angles C4'-P-C4' energy: -123.819 flat angles P-C4'-P energy: -78.998 tors. eta vs tors. theta energy: -95.326 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: 7, replica: 7 ===================================== Write number: 145 Temperature: 1.200000 Total energy: -1160.596836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1160.596836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1160.596836 (E_RNA) where: Base-Base interactions energy: -671.745 where: short stacking energy: -290.985 Base-Backbone interact. energy: 0.250 local terms energy: -489.102081 where: bonds (distance) C4'-P energy: -110.289 bonds (distance) P-C4' energy: -141.602 flat angles C4'-P-C4' energy: -114.135 flat angles P-C4'-P energy: -68.271 tors. eta vs tors. theta energy: -54.805 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: 1 ===================================== Write number: 145 Temperature: 1.250000 Total energy: -912.247343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -912.247343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -912.247343 (E_RNA) where: Base-Base interactions energy: -495.678 where: short stacking energy: -247.458 Base-Backbone interact. energy: 2.419 local terms energy: -418.988520 where: bonds (distance) C4'-P energy: -114.719 bonds (distance) P-C4' energy: -129.855 flat angles C4'-P-C4' energy: -95.185 flat angles P-C4'-P energy: -60.456 tors. eta vs tors. theta energy: -18.773 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: 3 ===================================== Write number: 145 Temperature: 1.300000 Total energy: -607.964407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -607.964407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -607.964407 (E_RNA) where: Base-Base interactions energy: -254.570 where: short stacking energy: -150.557 Base-Backbone interact. energy: -2.776 local terms energy: -350.618816 where: bonds (distance) C4'-P energy: -93.577 bonds (distance) P-C4' energy: -100.289 flat angles C4'-P-C4' energy: -109.004 flat angles P-C4'-P energy: -59.690 tors. eta vs tors. theta energy: 11.941 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 145 Temperature: 1.350000 Total energy: -484.307939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -484.307939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -484.307939 (E_RNA) where: Base-Base interactions energy: -138.567 where: short stacking energy: -114.878 Base-Backbone interact. energy: -5.125 local terms energy: -340.616109 where: bonds (distance) C4'-P energy: -135.266 bonds (distance) P-C4' energy: -99.068 flat angles C4'-P-C4' energy: -91.156 flat angles P-C4'-P energy: -51.325 tors. eta vs tors. theta energy: 36.198 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 146 Temperature: 0.900000 Total energy: -2164.327180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2164.327180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2164.327180 (E_RNA) where: Base-Base interactions energy: -1439.167 where: short stacking energy: -634.814 Base-Backbone interact. energy: -3.515 local terms energy: -721.644903 where: bonds (distance) C4'-P energy: -131.717 bonds (distance) P-C4' energy: -138.018 flat angles C4'-P-C4' energy: -159.577 flat angles P-C4'-P energy: -98.254 tors. eta vs tors. theta energy: -194.079 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: 5 ===================================== Write number: 146 Temperature: 0.950000 Total energy: -2068.235607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2068.235607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2068.235607 (E_RNA) where: Base-Base interactions energy: -1367.566 where: short stacking energy: -602.396 Base-Backbone interact. energy: -2.584 local terms energy: -698.086450 where: bonds (distance) C4'-P energy: -129.208 bonds (distance) P-C4' energy: -128.586 flat angles C4'-P-C4' energy: -149.007 flat angles P-C4'-P energy: -103.122 tors. eta vs tors. theta energy: -188.163 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 146 Temperature: 1.000000 Total energy: -2054.711809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2054.711809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2054.711809 (E_RNA) where: Base-Base interactions energy: -1389.130 where: short stacking energy: -571.955 Base-Backbone interact. energy: -0.148 local terms energy: -665.434059 where: bonds (distance) C4'-P energy: -140.961 bonds (distance) P-C4' energy: -120.088 flat angles C4'-P-C4' energy: -132.105 flat angles P-C4'-P energy: -91.441 tors. eta vs tors. theta energy: -180.839 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: 8 ===================================== Write number: 146 Temperature: 1.050000 Total energy: -1822.683064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1822.683064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1822.683064 (E_RNA) where: Base-Base interactions energy: -1186.865 where: short stacking energy: -514.375 Base-Backbone interact. energy: -1.650 local terms energy: -634.168762 where: bonds (distance) C4'-P energy: -121.615 bonds (distance) P-C4' energy: -135.739 flat angles C4'-P-C4' energy: -132.033 flat angles P-C4'-P energy: -86.179 tors. eta vs tors. theta energy: -158.603 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 146 Temperature: 1.100000 Total energy: -1653.452367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1653.452367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1653.452367 (E_RNA) where: Base-Base interactions energy: -1101.007 where: short stacking energy: -486.258 Base-Backbone interact. energy: -0.944 local terms energy: -551.501888 where: bonds (distance) C4'-P energy: -112.509 bonds (distance) P-C4' energy: -117.517 flat angles C4'-P-C4' energy: -131.080 flat angles P-C4'-P energy: -67.694 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: 6, replica: 4 ===================================== Write number: 146 Temperature: 1.150000 Total energy: -1460.601956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1460.601956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1460.601956 (E_RNA) where: Base-Base interactions energy: -925.983 where: short stacking energy: -420.441 Base-Backbone interact. energy: -1.431 local terms energy: -533.187776 where: bonds (distance) C4'-P energy: -103.842 bonds (distance) P-C4' energy: -97.912 flat angles C4'-P-C4' energy: -130.430 flat angles P-C4'-P energy: -87.340 tors. eta vs tors. theta energy: -113.665 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 146 Temperature: 1.200000 Total energy: -1145.175928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1145.175928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1145.175928 (E_RNA) where: Base-Base interactions energy: -684.791 where: short stacking energy: -309.125 Base-Backbone interact. energy: -2.904 local terms energy: -457.480984 where: bonds (distance) C4'-P energy: -110.588 bonds (distance) P-C4' energy: -107.088 flat angles C4'-P-C4' energy: -99.010 flat angles P-C4'-P energy: -76.347 tors. eta vs tors. theta energy: -64.448 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: 146 Temperature: 1.250000 Total energy: -898.595384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -898.595384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -898.595384 (E_RNA) where: Base-Base interactions energy: -494.026 where: short stacking energy: -249.149 Base-Backbone interact. energy: 4.187 local terms energy: -408.756689 where: bonds (distance) C4'-P energy: -119.184 bonds (distance) P-C4' energy: -105.086 flat angles C4'-P-C4' energy: -108.015 flat angles P-C4'-P energy: -57.179 tors. eta vs tors. theta energy: -19.293 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: 9, replica: 3 ===================================== Write number: 146 Temperature: 1.300000 Total energy: -523.866534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -523.866534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -523.866534 (E_RNA) where: Base-Base interactions energy: -174.891 where: short stacking energy: -110.451 Base-Backbone interact. energy: -0.431 local terms energy: -348.543725 where: bonds (distance) C4'-P energy: -121.116 bonds (distance) P-C4' energy: -103.865 flat angles C4'-P-C4' energy: -78.462 flat angles P-C4'-P energy: -69.058 tors. eta vs tors. theta energy: 23.958 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 146 Temperature: 1.350000 Total energy: -471.002064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -471.002064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -471.002064 (E_RNA) where: Base-Base interactions energy: -135.158 where: short stacking energy: -105.852 Base-Backbone interact. energy: -1.117 local terms energy: -334.726985 where: bonds (distance) C4'-P energy: -106.447 bonds (distance) P-C4' energy: -109.223 flat angles C4'-P-C4' energy: -92.124 flat angles P-C4'-P energy: -58.865 tors. eta vs tors. theta energy: 31.933 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 147 Temperature: 0.900000 Total energy: -2164.661653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2164.661653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2164.661653 (E_RNA) where: Base-Base interactions energy: -1445.321 where: short stacking energy: -620.812 Base-Backbone interact. energy: 0.105 local terms energy: -719.444996 where: bonds (distance) C4'-P energy: -134.002 bonds (distance) P-C4' energy: -122.034 flat angles C4'-P-C4' energy: -151.132 flat angles P-C4'-P energy: -107.237 tors. eta vs tors. theta energy: -205.041 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 147 Temperature: 0.950000 Total energy: -2132.194799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2132.194799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2132.194799 (E_RNA) where: Base-Base interactions energy: -1434.845 where: short stacking energy: -606.323 Base-Backbone interact. energy: -7.066 local terms energy: -690.283447 where: bonds (distance) C4'-P energy: -113.916 bonds (distance) P-C4' energy: -131.614 flat angles C4'-P-C4' energy: -151.095 flat angles P-C4'-P energy: -100.659 tors. eta vs tors. theta energy: -192.998 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 147 Temperature: 1.000000 Total energy: -1998.560240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1998.560240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1998.560240 (E_RNA) where: Base-Base interactions energy: -1362.951 where: short stacking energy: -550.429 Base-Backbone interact. energy: -6.663 local terms energy: -628.946511 where: bonds (distance) C4'-P energy: -133.638 bonds (distance) P-C4' energy: -110.839 flat angles C4'-P-C4' energy: -129.901 flat angles P-C4'-P energy: -87.568 tors. eta vs tors. theta energy: -167.001 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: 8 ===================================== Write number: 147 Temperature: 1.050000 Total energy: -1803.546800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1803.546800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1803.546800 (E_RNA) where: Base-Base interactions energy: -1204.571 where: short stacking energy: -490.361 Base-Backbone interact. energy: -1.594 local terms energy: -597.381929 where: bonds (distance) C4'-P energy: -114.137 bonds (distance) P-C4' energy: -111.294 flat angles C4'-P-C4' energy: -135.137 flat angles P-C4'-P energy: -85.094 tors. eta vs tors. theta energy: -151.719 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 147 Temperature: 1.100000 Total energy: -1699.084088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1699.084088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1699.084088 (E_RNA) where: Base-Base interactions energy: -1126.156 where: short stacking energy: -511.340 Base-Backbone interact. energy: -0.263 local terms energy: -572.665283 where: bonds (distance) C4'-P energy: -108.209 bonds (distance) P-C4' energy: -127.774 flat angles C4'-P-C4' energy: -131.177 flat angles P-C4'-P energy: -82.926 tors. eta vs tors. theta energy: -122.580 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 147 Temperature: 1.150000 Total energy: -1407.466257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1407.466257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1407.466257 (E_RNA) where: Base-Base interactions energy: -871.646 where: short stacking energy: -400.406 Base-Backbone interact. energy: 2.433 local terms energy: -538.253728 where: bonds (distance) C4'-P energy: -110.248 bonds (distance) P-C4' energy: -128.670 flat angles C4'-P-C4' energy: -122.539 flat angles P-C4'-P energy: -67.284 tors. eta vs tors. theta energy: -109.512 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: 147 Temperature: 1.200000 Total energy: -1273.943421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1273.943421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1273.943421 (E_RNA) where: Base-Base interactions energy: -793.516 where: short stacking energy: -361.184 Base-Backbone interact. energy: 8.777 local terms energy: -489.204470 where: bonds (distance) C4'-P energy: -118.638 bonds (distance) P-C4' energy: -115.081 flat angles C4'-P-C4' energy: -98.482 flat angles P-C4'-P energy: -67.613 tors. eta vs tors. theta energy: -89.390 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 147 Temperature: 1.250000 Total energy: -921.605693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -921.605693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -921.605693 (E_RNA) where: Base-Base interactions energy: -528.972 where: short stacking energy: -259.008 Base-Backbone interact. energy: 1.774 local terms energy: -394.406901 where: bonds (distance) C4'-P energy: -114.502 bonds (distance) P-C4' energy: -126.232 flat angles C4'-P-C4' energy: -85.096 flat angles P-C4'-P energy: -22.111 tors. eta vs tors. theta energy: -46.466 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: 3 ===================================== Write number: 147 Temperature: 1.300000 Total energy: -527.086141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -527.086141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -527.086141 (E_RNA) where: Base-Base interactions energy: -187.245 where: short stacking energy: -136.587 Base-Backbone interact. energy: -2.100 local terms energy: -337.741598 where: bonds (distance) C4'-P energy: -115.897 bonds (distance) P-C4' energy: -117.284 flat angles C4'-P-C4' energy: -105.917 flat angles P-C4'-P energy: -32.927 tors. eta vs tors. theta energy: 34.284 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 147 Temperature: 1.350000 Total energy: -509.494039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -509.494039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -509.494039 (E_RNA) where: Base-Base interactions energy: -175.769 where: short stacking energy: -114.128 Base-Backbone interact. energy: -1.504 local terms energy: -332.220379 where: bonds (distance) C4'-P energy: -116.333 bonds (distance) P-C4' energy: -100.653 flat angles C4'-P-C4' energy: -88.123 flat angles P-C4'-P energy: -51.422 tors. eta vs tors. theta energy: 24.311 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: 5 ===================================== Write number: 148 Temperature: 0.900000 Total energy: -2187.054934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2187.054934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2187.054934 (E_RNA) where: Base-Base interactions energy: -1474.754 where: short stacking energy: -635.680 Base-Backbone interact. energy: -5.975 local terms energy: -706.325514 where: bonds (distance) C4'-P energy: -126.158 bonds (distance) P-C4' energy: -131.323 flat angles C4'-P-C4' energy: -150.257 flat angles P-C4'-P energy: -104.462 tors. eta vs tors. theta energy: -194.126 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 148 Temperature: 0.950000 Total energy: -2143.974668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2143.974668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2143.974668 (E_RNA) where: Base-Base interactions energy: -1437.881 where: short stacking energy: -620.748 Base-Backbone interact. energy: -2.128 local terms energy: -703.965352 where: bonds (distance) C4'-P energy: -133.108 bonds (distance) P-C4' energy: -124.854 flat angles C4'-P-C4' energy: -152.745 flat angles P-C4'-P energy: -98.265 tors. eta vs tors. theta energy: -194.992 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 148 Temperature: 1.000000 Total energy: -2004.676626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2004.676626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2004.676626 (E_RNA) where: Base-Base interactions energy: -1348.470 where: short stacking energy: -567.021 Base-Backbone interact. energy: -3.623 local terms energy: -652.582978 where: bonds (distance) C4'-P energy: -128.915 bonds (distance) P-C4' energy: -116.157 flat angles C4'-P-C4' energy: -151.257 flat angles P-C4'-P energy: -86.618 tors. eta vs tors. theta energy: -169.636 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: 8 ===================================== Write number: 148 Temperature: 1.050000 Total energy: -1841.057416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1841.057416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1841.057416 (E_RNA) where: Base-Base interactions energy: -1185.962 where: short stacking energy: -496.746 Base-Backbone interact. energy: 5.815 local terms energy: -660.909721 where: bonds (distance) C4'-P energy: -144.110 bonds (distance) P-C4' energy: -122.909 flat angles C4'-P-C4' energy: -145.005 flat angles P-C4'-P energy: -98.301 tors. eta vs tors. theta energy: -150.584 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: 5, replica: 2 ===================================== Write number: 148 Temperature: 1.100000 Total energy: -1785.340722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1785.340722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1785.340722 (E_RNA) where: Base-Base interactions energy: -1195.956 where: short stacking energy: -528.270 Base-Backbone interact. energy: -0.629 local terms energy: -588.754945 where: bonds (distance) C4'-P energy: -122.455 bonds (distance) P-C4' energy: -122.564 flat angles C4'-P-C4' energy: -126.933 flat angles P-C4'-P energy: -59.122 tors. eta vs tors. theta energy: -157.680 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: 4 ===================================== Write number: 148 Temperature: 1.150000 Total energy: -1407.932897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1407.932897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1407.932897 (E_RNA) where: Base-Base interactions energy: -868.953 where: short stacking energy: -386.195 Base-Backbone interact. energy: -3.840 local terms energy: -535.140109 where: bonds (distance) C4'-P energy: -123.009 bonds (distance) P-C4' energy: -107.711 flat angles C4'-P-C4' energy: -117.982 flat angles P-C4'-P energy: -84.698 tors. eta vs tors. theta energy: -101.740 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: 7, replica: 7 ===================================== Write number: 148 Temperature: 1.200000 Total energy: -1211.204748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1211.204748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1211.204748 (E_RNA) where: Base-Base interactions energy: -739.791 where: short stacking energy: -336.106 Base-Backbone interact. energy: -0.600 local terms energy: -470.813328 where: bonds (distance) C4'-P energy: -104.177 bonds (distance) P-C4' energy: -118.884 flat angles C4'-P-C4' energy: -114.754 flat angles P-C4'-P energy: -80.149 tors. eta vs tors. theta energy: -52.849 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 148 Temperature: 1.250000 Total energy: -917.882951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -917.882951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -917.882951 (E_RNA) where: Base-Base interactions energy: -510.088 where: short stacking energy: -250.865 Base-Backbone interact. energy: -3.387 local terms energy: -404.407300 where: bonds (distance) C4'-P energy: -111.325 bonds (distance) P-C4' energy: -105.785 flat angles C4'-P-C4' energy: -110.793 flat angles P-C4'-P energy: -62.423 tors. eta vs tors. theta energy: -14.081 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: 3 ===================================== Write number: 148 Temperature: 1.300000 Total energy: -578.976891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -578.976891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -578.976891 (E_RNA) where: Base-Base interactions energy: -212.472 where: short stacking energy: -139.920 Base-Backbone interact. energy: 5.585 local terms energy: -372.090388 where: bonds (distance) C4'-P energy: -100.325 bonds (distance) P-C4' energy: -120.806 flat angles C4'-P-C4' energy: -103.818 flat angles P-C4'-P energy: -61.020 tors. eta vs tors. theta energy: 13.878 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: 9 ===================================== Write number: 148 Temperature: 1.350000 Total energy: -485.577641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -485.577641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -485.577641 (E_RNA) where: Base-Base interactions energy: -179.089 where: short stacking energy: -115.354 Base-Backbone interact. energy: 2.195 local terms energy: -308.683636 where: bonds (distance) C4'-P energy: -86.913 bonds (distance) P-C4' energy: -118.646 flat angles C4'-P-C4' energy: -96.248 flat angles P-C4'-P energy: -31.300 tors. eta vs tors. theta energy: 24.424 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: 5 ===================================== Write number: 149 Temperature: 0.900000 Total energy: -2192.727991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2192.727991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2192.727991 (E_RNA) where: Base-Base interactions energy: -1472.142 where: short stacking energy: -598.846 Base-Backbone interact. energy: -1.607 local terms energy: -718.978903 where: bonds (distance) C4'-P energy: -141.153 bonds (distance) P-C4' energy: -133.814 flat angles C4'-P-C4' energy: -154.329 flat angles P-C4'-P energy: -96.848 tors. eta vs tors. theta energy: -192.835 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 149 Temperature: 0.950000 Total energy: -2097.721940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2097.721940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2097.721940 (E_RNA) where: Base-Base interactions energy: -1410.316 where: short stacking energy: -591.864 Base-Backbone interact. energy: -4.083 local terms energy: -683.323524 where: bonds (distance) C4'-P energy: -118.693 bonds (distance) P-C4' energy: -140.978 flat angles C4'-P-C4' energy: -142.856 flat angles P-C4'-P energy: -89.357 tors. eta vs tors. theta energy: -191.439 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: 149 Temperature: 1.000000 Total energy: -2020.323126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2020.323126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2020.323126 (E_RNA) where: Base-Base interactions energy: -1378.940 where: short stacking energy: -579.510 Base-Backbone interact. energy: 1.690 local terms energy: -643.073413 where: bonds (distance) C4'-P energy: -134.032 bonds (distance) P-C4' energy: -111.457 flat angles C4'-P-C4' energy: -128.850 flat angles P-C4'-P energy: -97.459 tors. eta vs tors. theta energy: -171.275 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: 8 ===================================== Write number: 149 Temperature: 1.050000 Total energy: -1826.319380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1826.319380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1826.319380 (E_RNA) where: Base-Base interactions energy: -1197.244 where: short stacking energy: -504.139 Base-Backbone interact. energy: 3.120 local terms energy: -632.195610 where: bonds (distance) C4'-P energy: -116.751 bonds (distance) P-C4' energy: -131.776 flat angles C4'-P-C4' energy: -140.575 flat angles P-C4'-P energy: -90.258 tors. eta vs tors. theta energy: -152.835 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 149 Temperature: 1.100000 Total energy: -1779.391542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1779.391542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1779.391542 (E_RNA) where: Base-Base interactions energy: -1206.887 where: short stacking energy: -509.624 Base-Backbone interact. energy: -1.624 local terms energy: -570.880428 where: bonds (distance) C4'-P energy: -112.503 bonds (distance) P-C4' energy: -110.980 flat angles C4'-P-C4' energy: -118.590 flat angles P-C4'-P energy: -75.157 tors. eta vs tors. theta energy: -153.652 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 149 Temperature: 1.150000 Total energy: -1395.042801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1395.042801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1395.042801 (E_RNA) where: Base-Base interactions energy: -860.345 where: short stacking energy: -387.506 Base-Backbone interact. energy: -2.210 local terms energy: -532.487845 where: bonds (distance) C4'-P energy: -112.782 bonds (distance) P-C4' energy: -118.859 flat angles C4'-P-C4' energy: -102.987 flat angles P-C4'-P energy: -91.003 tors. eta vs tors. theta energy: -106.856 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 149 Temperature: 1.200000 Total energy: -1253.496790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1253.496790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1253.496790 (E_RNA) where: Base-Base interactions energy: -756.121 where: short stacking energy: -364.492 Base-Backbone interact. energy: -2.985 local terms energy: -494.390188 where: bonds (distance) C4'-P energy: -117.922 bonds (distance) P-C4' energy: -103.262 flat angles C4'-P-C4' energy: -136.069 flat angles P-C4'-P energy: -72.663 tors. eta vs tors. theta energy: -64.475 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: 1 ===================================== Write number: 149 Temperature: 1.250000 Total energy: -954.419457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -954.419457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -954.419457 (E_RNA) where: Base-Base interactions energy: -523.758 where: short stacking energy: -273.788 Base-Backbone interact. energy: -1.120 local terms energy: -429.541404 where: bonds (distance) C4'-P energy: -104.155 bonds (distance) P-C4' energy: -115.257 flat angles C4'-P-C4' energy: -101.706 flat angles P-C4'-P energy: -66.935 tors. eta vs tors. theta energy: -41.488 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 149 Temperature: 1.300000 Total energy: -585.028059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -585.028059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -585.028059 (E_RNA) where: Base-Base interactions energy: -212.199 where: short stacking energy: -144.440 Base-Backbone interact. energy: 0.128 local terms energy: -372.956965 where: bonds (distance) C4'-P energy: -111.621 bonds (distance) P-C4' energy: -114.426 flat angles C4'-P-C4' energy: -105.847 flat angles P-C4'-P energy: -60.770 tors. eta vs tors. theta energy: 19.707 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 149 Temperature: 1.350000 Total energy: -502.986601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -502.986601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -502.986601 (E_RNA) where: Base-Base interactions energy: -160.426 where: short stacking energy: -116.182 Base-Backbone interact. energy: 4.315 local terms energy: -346.875846 where: bonds (distance) C4'-P energy: -105.108 bonds (distance) P-C4' energy: -119.909 flat angles C4'-P-C4' energy: -111.954 flat angles P-C4'-P energy: -38.662 tors. eta vs tors. theta energy: 28.757 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: 5 ===================================== Write number: 150 Temperature: 0.900000 Total energy: -2182.000339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2182.000339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2182.000339 (E_RNA) where: Base-Base interactions energy: -1442.391 where: short stacking energy: -610.665 Base-Backbone interact. energy: -5.565 local terms energy: -734.044002 where: bonds (distance) C4'-P energy: -138.823 bonds (distance) P-C4' energy: -143.471 flat angles C4'-P-C4' energy: -155.268 flat angles P-C4'-P energy: -105.675 tors. eta vs tors. theta energy: -190.806 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 150 Temperature: 0.950000 Total energy: -2116.548296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2116.548296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2116.548296 (E_RNA) where: Base-Base interactions energy: -1435.048 where: short stacking energy: -582.533 Base-Backbone interact. energy: -2.043 local terms energy: -679.457639 where: bonds (distance) C4'-P energy: -120.134 bonds (distance) P-C4' energy: -131.966 flat angles C4'-P-C4' energy: -149.529 flat angles P-C4'-P energy: -92.107 tors. eta vs tors. theta energy: -185.722 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 150 Temperature: 1.000000 Total energy: -2057.610445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2057.610445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2057.610445 (E_RNA) where: Base-Base interactions energy: -1382.992 where: short stacking energy: -584.472 Base-Backbone interact. energy: -1.441 local terms energy: -673.177521 where: bonds (distance) C4'-P energy: -129.396 bonds (distance) P-C4' energy: -134.295 flat angles C4'-P-C4' energy: -142.881 flat angles P-C4'-P energy: -100.982 tors. eta vs tors. theta energy: -165.623 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: 8 ===================================== Write number: 150 Temperature: 1.050000 Total energy: -1829.797704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1829.797704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1829.797704 (E_RNA) where: Base-Base interactions energy: -1210.721 where: short stacking energy: -528.661 Base-Backbone interact. energy: 2.489 local terms energy: -621.565796 where: bonds (distance) C4'-P energy: -127.878 bonds (distance) P-C4' energy: -122.319 flat angles C4'-P-C4' energy: -123.508 flat angles P-C4'-P energy: -88.184 tors. eta vs tors. theta energy: -159.676 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: 2 ===================================== Write number: 150 Temperature: 1.100000 Total energy: -1834.189955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1834.189955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1834.189955 (E_RNA) where: Base-Base interactions energy: -1194.242 where: short stacking energy: -529.764 Base-Backbone interact. energy: -2.603 local terms energy: -637.344142 where: bonds (distance) C4'-P energy: -132.766 bonds (distance) P-C4' energy: -127.002 flat angles C4'-P-C4' energy: -132.388 flat angles P-C4'-P energy: -73.803 tors. eta vs tors. theta energy: -171.386 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: 150 Temperature: 1.150000 Total energy: -1332.576393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1332.576393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1332.576393 (E_RNA) where: Base-Base interactions energy: -807.547 where: short stacking energy: -382.345 Base-Backbone interact. energy: -0.594 local terms energy: -524.435251 where: bonds (distance) C4'-P energy: -123.290 bonds (distance) P-C4' energy: -127.667 flat angles C4'-P-C4' energy: -109.732 flat angles P-C4'-P energy: -76.041 tors. eta vs tors. theta energy: -87.704 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: 7 ===================================== Write number: 150 Temperature: 1.200000 Total energy: -1181.811225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1181.811225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1181.811225 (E_RNA) where: Base-Base interactions energy: -744.741 where: short stacking energy: -318.639 Base-Backbone interact. energy: -1.162 local terms energy: -435.908400 where: bonds (distance) C4'-P energy: -112.213 bonds (distance) P-C4' energy: -88.306 flat angles C4'-P-C4' energy: -106.023 flat angles P-C4'-P energy: -73.400 tors. eta vs tors. theta energy: -55.967 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 150 Temperature: 1.250000 Total energy: -961.068736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -961.068736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -961.068736 (E_RNA) where: Base-Base interactions energy: -499.613 where: short stacking energy: -239.968 Base-Backbone interact. energy: -0.734 local terms energy: -460.721927 where: bonds (distance) C4'-P energy: -115.363 bonds (distance) P-C4' energy: -121.888 flat angles C4'-P-C4' energy: -107.898 flat angles P-C4'-P energy: -82.746 tors. eta vs tors. theta energy: -32.826 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 150 Temperature: 1.300000 Total energy: -560.776435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -560.776435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -560.776435 (E_RNA) where: Base-Base interactions energy: -223.019 where: short stacking energy: -155.653 Base-Backbone interact. energy: -1.088 local terms energy: -336.669559 where: bonds (distance) C4'-P energy: -109.798 bonds (distance) P-C4' energy: -100.203 flat angles C4'-P-C4' energy: -98.673 flat angles P-C4'-P energy: -47.391 tors. eta vs tors. theta energy: 19.395 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 150 Temperature: 1.350000 Total energy: -490.139529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -490.139529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -490.139529 (E_RNA) where: Base-Base interactions energy: -164.455 where: short stacking energy: -118.932 Base-Backbone interact. energy: -1.562 local terms energy: -324.122639 where: bonds (distance) C4'-P energy: -102.036 bonds (distance) P-C4' energy: -118.184 flat angles C4'-P-C4' energy: -95.099 flat angles P-C4'-P energy: -48.401 tors. eta vs tors. theta energy: 39.597 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 151 Temperature: 0.900000 Total energy: -2218.882337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2218.882337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2218.882337 (E_RNA) where: Base-Base interactions energy: -1481.664 where: short stacking energy: -629.767 Base-Backbone interact. energy: -2.906 local terms energy: -734.313157 where: bonds (distance) C4'-P energy: -135.673 bonds (distance) P-C4' energy: -138.438 flat angles C4'-P-C4' energy: -145.981 flat angles P-C4'-P energy: -107.742 tors. eta vs tors. theta energy: -206.479 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 151 Temperature: 0.950000 Total energy: -2090.781006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2090.781006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2090.781006 (E_RNA) where: Base-Base interactions energy: -1416.269 where: short stacking energy: -569.798 Base-Backbone interact. energy: -2.769 local terms energy: -671.742884 where: bonds (distance) C4'-P energy: -127.987 bonds (distance) P-C4' energy: -125.643 flat angles C4'-P-C4' energy: -148.761 flat angles P-C4'-P energy: -94.321 tors. eta vs tors. theta energy: -175.030 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: 3, replica: 10 ===================================== Write number: 151 Temperature: 1.000000 Total energy: -2030.297450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2030.297450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2030.297450 (E_RNA) where: Base-Base interactions energy: -1389.977 where: short stacking energy: -564.864 Base-Backbone interact. energy: -1.621 local terms energy: -638.699385 where: bonds (distance) C4'-P energy: -118.525 bonds (distance) P-C4' energy: -129.817 flat angles C4'-P-C4' energy: -134.987 flat angles P-C4'-P energy: -74.445 tors. eta vs tors. theta energy: -180.926 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 151 Temperature: 1.050000 Total energy: -1895.352078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1895.352078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1895.352078 (E_RNA) where: Base-Base interactions energy: -1261.579 where: short stacking energy: -551.567 Base-Backbone interact. energy: -0.710 local terms energy: -633.063544 where: bonds (distance) C4'-P energy: -130.415 bonds (distance) P-C4' energy: -110.742 flat angles C4'-P-C4' energy: -135.133 flat angles P-C4'-P energy: -90.908 tors. eta vs tors. theta energy: -165.865 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: 151 Temperature: 1.100000 Total energy: -1753.473784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1753.473784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1753.473784 (E_RNA) where: Base-Base interactions energy: -1133.385 where: short stacking energy: -476.413 Base-Backbone interact. energy: -3.284 local terms energy: -616.805494 where: bonds (distance) C4'-P energy: -118.847 bonds (distance) P-C4' energy: -138.665 flat angles C4'-P-C4' energy: -130.970 flat angles P-C4'-P energy: -85.930 tors. eta vs tors. theta energy: -142.392 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 151 Temperature: 1.150000 Total energy: -1322.326915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1322.326915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1322.326915 (E_RNA) where: Base-Base interactions energy: -847.338 where: short stacking energy: -374.074 Base-Backbone interact. energy: 2.083 local terms energy: -477.071982 where: bonds (distance) C4'-P energy: -108.332 bonds (distance) P-C4' energy: -114.802 flat angles C4'-P-C4' energy: -117.750 flat angles P-C4'-P energy: -65.778 tors. eta vs tors. theta energy: -70.411 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 151 Temperature: 1.200000 Total energy: -1233.584743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1233.584743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1233.584743 (E_RNA) where: Base-Base interactions energy: -770.067 where: short stacking energy: -327.681 Base-Backbone interact. energy: -0.040 local terms energy: -463.592625 where: bonds (distance) C4'-P energy: -97.060 bonds (distance) P-C4' energy: -117.514 flat angles C4'-P-C4' energy: -103.327 flat angles P-C4'-P energy: -86.910 tors. eta vs tors. theta energy: -58.780 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.114 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 151 Temperature: 1.250000 Total energy: -992.013801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -992.013801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -992.013801 (E_RNA) where: Base-Base interactions energy: -562.829 where: short stacking energy: -271.497 Base-Backbone interact. energy: 3.155 local terms energy: -432.339290 where: bonds (distance) C4'-P energy: -101.040 bonds (distance) P-C4' energy: -117.327 flat angles C4'-P-C4' energy: -107.207 flat angles P-C4'-P energy: -67.176 tors. eta vs tors. theta energy: -39.589 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: 3 ===================================== Write number: 151 Temperature: 1.300000 Total energy: -625.652273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -625.652273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -625.652273 (E_RNA) where: Base-Base interactions energy: -304.710 where: short stacking energy: -186.532 Base-Backbone interact. energy: -1.959 local terms energy: -318.983622 where: bonds (distance) C4'-P energy: -83.409 bonds (distance) P-C4' energy: -107.313 flat angles C4'-P-C4' energy: -101.927 flat angles P-C4'-P energy: -34.205 tors. eta vs tors. theta energy: 7.870 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: 9 ===================================== Write number: 151 Temperature: 1.350000 Total energy: -512.405102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -512.405102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -512.405102 (E_RNA) where: Base-Base interactions energy: -199.745 where: short stacking energy: -129.435 Base-Backbone interact. energy: -0.091 local terms energy: -312.568688 where: bonds (distance) C4'-P energy: -112.547 bonds (distance) P-C4' energy: -103.815 flat angles C4'-P-C4' energy: -79.714 flat angles P-C4'-P energy: -38.659 tors. eta vs tors. theta energy: 22.167 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 152 Temperature: 0.900000 Total energy: -2211.399087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2211.399087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2211.399087 (E_RNA) where: Base-Base interactions energy: -1498.963 where: short stacking energy: -633.876 Base-Backbone interact. energy: -2.609 local terms energy: -709.827596 where: bonds (distance) C4'-P energy: -135.419 bonds (distance) P-C4' energy: -134.107 flat angles C4'-P-C4' energy: -142.243 flat angles P-C4'-P energy: -98.724 tors. eta vs tors. theta energy: -199.334 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: 2, replica: 6 ===================================== Write number: 152 Temperature: 0.950000 Total energy: -2073.003205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2073.003205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2073.003205 (E_RNA) where: Base-Base interactions energy: -1388.462 where: short stacking energy: -573.567 Base-Backbone interact. energy: -4.162 local terms energy: -680.379172 where: bonds (distance) C4'-P energy: -135.307 bonds (distance) P-C4' energy: -135.093 flat angles C4'-P-C4' energy: -147.130 flat angles P-C4'-P energy: -81.968 tors. eta vs tors. theta energy: -180.881 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 152 Temperature: 1.000000 Total energy: -2016.528266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2016.528266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2016.528266 (E_RNA) where: Base-Base interactions energy: -1363.178 where: short stacking energy: -566.314 Base-Backbone interact. energy: -1.229 local terms energy: -652.121100 where: bonds (distance) C4'-P energy: -135.047 bonds (distance) P-C4' energy: -128.446 flat angles C4'-P-C4' energy: -129.283 flat angles P-C4'-P energy: -83.228 tors. eta vs tors. theta energy: -176.118 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 152 Temperature: 1.050000 Total energy: -1844.712982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1844.712982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1844.712982 (E_RNA) where: Base-Base interactions energy: -1223.682 where: short stacking energy: -542.776 Base-Backbone interact. energy: -0.237 local terms energy: -620.794211 where: bonds (distance) C4'-P energy: -121.951 bonds (distance) P-C4' energy: -135.851 flat angles C4'-P-C4' energy: -122.571 flat angles P-C4'-P energy: -76.692 tors. eta vs tors. theta energy: -163.729 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 152 Temperature: 1.100000 Total energy: -1702.796916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1702.796916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1702.796916 (E_RNA) where: Base-Base interactions energy: -1160.365 where: short stacking energy: -488.383 Base-Backbone interact. energy: 2.507 local terms energy: -544.939478 where: bonds (distance) C4'-P energy: -100.104 bonds (distance) P-C4' energy: -112.159 flat angles C4'-P-C4' energy: -131.389 flat angles P-C4'-P energy: -69.117 tors. eta vs tors. theta energy: -132.170 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 152 Temperature: 1.150000 Total energy: -1332.583483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1332.583483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1332.583483 (E_RNA) where: Base-Base interactions energy: -829.848 where: short stacking energy: -380.621 Base-Backbone interact. energy: -3.483 local terms energy: -499.253180 where: bonds (distance) C4'-P energy: -94.144 bonds (distance) P-C4' energy: -125.727 flat angles C4'-P-C4' energy: -124.923 flat angles P-C4'-P energy: -73.145 tors. eta vs tors. theta energy: -81.315 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 152 Temperature: 1.200000 Total energy: -1268.723314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1268.723314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1268.723314 (E_RNA) where: Base-Base interactions energy: -774.791 where: short stacking energy: -378.515 Base-Backbone interact. energy: -1.947 local terms energy: -491.985080 where: bonds (distance) C4'-P energy: -104.439 bonds (distance) P-C4' energy: -109.126 flat angles C4'-P-C4' energy: -120.709 flat angles P-C4'-P energy: -76.130 tors. eta vs tors. theta energy: -81.581 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: 1 ===================================== Write number: 152 Temperature: 1.250000 Total energy: -856.193693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -856.193693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -856.193693 (E_RNA) where: Base-Base interactions energy: -426.907 where: short stacking energy: -232.206 Base-Backbone interact. energy: 0.061 local terms energy: -429.347628 where: bonds (distance) C4'-P energy: -106.355 bonds (distance) P-C4' energy: -119.364 flat angles C4'-P-C4' energy: -116.597 flat angles P-C4'-P energy: -74.722 tors. eta vs tors. theta energy: -12.310 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 152 Temperature: 1.300000 Total energy: -629.193449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -629.193449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -629.193449 (E_RNA) where: Base-Base interactions energy: -282.138 where: short stacking energy: -178.795 Base-Backbone interact. energy: 1.802 local terms energy: -348.858050 where: bonds (distance) C4'-P energy: -87.967 bonds (distance) P-C4' energy: -98.617 flat angles C4'-P-C4' energy: -93.045 flat angles P-C4'-P energy: -77.553 tors. eta vs tors. theta energy: 8.324 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 152 Temperature: 1.350000 Total energy: -580.715894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -580.715894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -580.715894 (E_RNA) where: Base-Base interactions energy: -261.357 where: short stacking energy: -150.493 Base-Backbone interact. energy: 1.908 local terms energy: -321.266792 where: bonds (distance) C4'-P energy: -89.623 bonds (distance) P-C4' energy: -107.311 flat angles C4'-P-C4' energy: -90.746 flat angles P-C4'-P energy: -51.346 tors. eta vs tors. theta energy: 17.758 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 153 Temperature: 0.900000 Total energy: -2203.967863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2203.967863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2203.967863 (E_RNA) where: Base-Base interactions energy: -1467.949 where: short stacking energy: -631.938 Base-Backbone interact. energy: -4.746 local terms energy: -731.272950 where: bonds (distance) C4'-P energy: -123.890 bonds (distance) P-C4' energy: -138.983 flat angles C4'-P-C4' energy: -161.530 flat angles P-C4'-P energy: -112.535 tors. eta vs tors. theta energy: -194.335 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 153 Temperature: 0.950000 Total energy: -2066.906254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2066.906254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2066.906254 (E_RNA) where: Base-Base interactions energy: -1434.860 where: short stacking energy: -553.446 Base-Backbone interact. energy: 0.610 local terms energy: -632.655736 where: bonds (distance) C4'-P energy: -118.710 bonds (distance) P-C4' energy: -110.137 flat angles C4'-P-C4' energy: -141.293 flat angles P-C4'-P energy: -82.762 tors. eta vs tors. theta energy: -179.754 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: 10 ===================================== Write number: 153 Temperature: 1.000000 Total energy: -2028.052876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2028.052876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2028.052876 (E_RNA) where: Base-Base interactions energy: -1380.485 where: short stacking energy: -569.817 Base-Backbone interact. energy: -4.125 local terms energy: -643.442913 where: bonds (distance) C4'-P energy: -130.134 bonds (distance) P-C4' energy: -103.277 flat angles C4'-P-C4' energy: -143.584 flat angles P-C4'-P energy: -83.282 tors. eta vs tors. theta energy: -183.165 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: 2 ===================================== Write number: 153 Temperature: 1.050000 Total energy: -1890.235677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1890.235677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1890.235677 (E_RNA) where: Base-Base interactions energy: -1221.579 where: short stacking energy: -536.817 Base-Backbone interact. energy: 0.843 local terms energy: -669.499533 where: bonds (distance) C4'-P energy: -112.968 bonds (distance) P-C4' energy: -142.707 flat angles C4'-P-C4' energy: -144.851 flat angles P-C4'-P energy: -99.812 tors. eta vs tors. theta energy: -169.162 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 153 Temperature: 1.100000 Total energy: -1727.216515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1727.216515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1727.216515 (E_RNA) where: Base-Base interactions energy: -1143.668 where: short stacking energy: -492.119 Base-Backbone interact. energy: 2.391 local terms energy: -585.939698 where: bonds (distance) C4'-P energy: -102.808 bonds (distance) P-C4' energy: -130.606 flat angles C4'-P-C4' energy: -125.013 flat angles P-C4'-P energy: -79.300 tors. eta vs tors. theta energy: -148.213 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: 7 ===================================== Write number: 153 Temperature: 1.150000 Total energy: -1339.156784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1339.156784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1339.156784 (E_RNA) where: Base-Base interactions energy: -810.944 where: short stacking energy: -344.025 Base-Backbone interact. energy: -2.598 local terms energy: -525.614563 where: bonds (distance) C4'-P energy: -125.231 bonds (distance) P-C4' energy: -120.217 flat angles C4'-P-C4' energy: -121.429 flat angles P-C4'-P energy: -76.288 tors. eta vs tors. theta energy: -82.450 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: 7, replica: 4 ===================================== Write number: 153 Temperature: 1.200000 Total energy: -1209.930747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1209.930747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1209.930747 (E_RNA) where: Base-Base interactions energy: -722.309 where: short stacking energy: -349.387 Base-Backbone interact. energy: 2.335 local terms energy: -489.956968 where: bonds (distance) C4'-P energy: -96.499 bonds (distance) P-C4' energy: -130.718 flat angles C4'-P-C4' energy: -138.111 flat angles P-C4'-P energy: -56.758 tors. eta vs tors. theta energy: -67.872 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: 8, replica: 1 ===================================== Write number: 153 Temperature: 1.250000 Total energy: -831.167974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -831.167974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -831.167974 (E_RNA) where: Base-Base interactions energy: -421.313 where: short stacking energy: -229.851 Base-Backbone interact. energy: -0.506 local terms energy: -409.349189 where: bonds (distance) C4'-P energy: -99.522 bonds (distance) P-C4' energy: -136.751 flat angles C4'-P-C4' energy: -88.204 flat angles P-C4'-P energy: -68.399 tors. eta vs tors. theta energy: -16.473 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 153 Temperature: 1.300000 Total energy: -598.746020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -598.746020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -598.746020 (E_RNA) where: Base-Base interactions energy: -232.340 where: short stacking energy: -130.262 Base-Backbone interact. energy: -6.377 local terms energy: -360.029092 where: bonds (distance) C4'-P energy: -109.507 bonds (distance) P-C4' energy: -120.464 flat angles C4'-P-C4' energy: -106.472 flat angles P-C4'-P energy: -51.546 tors. eta vs tors. theta energy: 27.960 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 153 Temperature: 1.350000 Total energy: -631.170934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -631.170934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -631.170934 (E_RNA) where: Base-Base interactions energy: -273.174 where: short stacking energy: -184.581 Base-Backbone interact. energy: -0.573 local terms energy: -357.424648 where: bonds (distance) C4'-P energy: -99.217 bonds (distance) P-C4' energy: -101.956 flat angles C4'-P-C4' energy: -101.718 flat angles P-C4'-P energy: -59.538 tors. eta vs tors. theta energy: 5.004 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 154 Temperature: 0.900000 Total energy: -2197.193138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2197.193138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2197.193138 (E_RNA) where: Base-Base interactions energy: -1484.269 where: short stacking energy: -602.933 Base-Backbone interact. energy: -4.369 local terms energy: -708.554932 where: bonds (distance) C4'-P energy: -134.423 bonds (distance) P-C4' energy: -141.375 flat angles C4'-P-C4' energy: -144.382 flat angles P-C4'-P energy: -99.981 tors. eta vs tors. theta energy: -188.394 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 154 Temperature: 0.950000 Total energy: -2112.479568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2112.479568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2112.479568 (E_RNA) where: Base-Base interactions energy: -1426.622 where: short stacking energy: -601.183 Base-Backbone interact. energy: -2.356 local terms energy: -683.501673 where: bonds (distance) C4'-P energy: -131.017 bonds (distance) P-C4' energy: -134.304 flat angles C4'-P-C4' energy: -142.093 flat angles P-C4'-P energy: -91.785 tors. eta vs tors. theta energy: -184.304 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 154 Temperature: 1.000000 Total energy: -2078.103664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2078.103664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2078.103664 (E_RNA) where: Base-Base interactions energy: -1396.934 where: short stacking energy: -559.127 Base-Backbone interact. energy: -4.567 local terms energy: -676.603046 where: bonds (distance) C4'-P energy: -131.731 bonds (distance) P-C4' energy: -131.521 flat angles C4'-P-C4' energy: -141.460 flat angles P-C4'-P energy: -93.203 tors. eta vs tors. theta energy: -178.688 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 154 Temperature: 1.050000 Total energy: -1888.728776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1888.728776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1888.728776 (E_RNA) where: Base-Base interactions energy: -1231.560 where: short stacking energy: -542.119 Base-Backbone interact. energy: -1.423 local terms energy: -655.745819 where: bonds (distance) C4'-P energy: -132.565 bonds (distance) P-C4' energy: -120.561 flat angles C4'-P-C4' energy: -140.308 flat angles P-C4'-P energy: -91.049 tors. eta vs tors. theta energy: -171.262 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 154 Temperature: 1.100000 Total energy: -1747.735261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1747.735261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1747.735261 (E_RNA) where: Base-Base interactions energy: -1190.375 where: short stacking energy: -484.389 Base-Backbone interact. energy: 0.112 local terms energy: -557.472202 where: bonds (distance) C4'-P energy: -103.466 bonds (distance) P-C4' energy: -104.202 flat angles C4'-P-C4' energy: -135.274 flat angles P-C4'-P energy: -74.438 tors. eta vs tors. theta energy: -140.093 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 154 Temperature: 1.150000 Total energy: -1392.461074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1392.461074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1392.461074 (E_RNA) where: Base-Base interactions energy: -876.855 where: short stacking energy: -396.753 Base-Backbone interact. energy: 0.697 local terms energy: -516.303012 where: bonds (distance) C4'-P energy: -106.428 bonds (distance) P-C4' energy: -117.795 flat angles C4'-P-C4' energy: -115.552 flat angles P-C4'-P energy: -77.146 tors. eta vs tors. theta energy: -99.382 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: 154 Temperature: 1.200000 Total energy: -1071.464637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1071.464637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1071.464637 (E_RNA) where: Base-Base interactions energy: -622.955 where: short stacking energy: -299.254 Base-Backbone interact. energy: -1.866 local terms energy: -446.643681 where: bonds (distance) C4'-P energy: -104.403 bonds (distance) P-C4' energy: -111.253 flat angles C4'-P-C4' energy: -104.247 flat angles P-C4'-P energy: -82.458 tors. eta vs tors. theta energy: -44.283 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 154 Temperature: 1.250000 Total energy: -893.475022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -893.475022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -893.475022 (E_RNA) where: Base-Base interactions energy: -465.592 where: short stacking energy: -250.455 Base-Backbone interact. energy: -4.271 local terms energy: -423.612368 where: bonds (distance) C4'-P energy: -102.568 bonds (distance) P-C4' energy: -109.986 flat angles C4'-P-C4' energy: -116.306 flat angles P-C4'-P energy: -71.971 tors. eta vs tors. theta energy: -22.781 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 154 Temperature: 1.300000 Total energy: -649.283915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -649.283915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -649.283915 (E_RNA) where: Base-Base interactions energy: -293.453 where: short stacking energy: -175.049 Base-Backbone interact. energy: 0.915 local terms energy: -356.746269 where: bonds (distance) C4'-P energy: -96.203 bonds (distance) P-C4' energy: -121.765 flat angles C4'-P-C4' energy: -97.984 flat angles P-C4'-P energy: -64.673 tors. eta vs tors. theta energy: 23.879 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: 9 ===================================== Write number: 154 Temperature: 1.350000 Total energy: -585.830541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -585.830541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -585.830541 (E_RNA) where: Base-Base interactions energy: -232.676 where: short stacking energy: -128.466 Base-Backbone interact. energy: -1.311 local terms energy: -351.842899 where: bonds (distance) C4'-P energy: -104.341 bonds (distance) P-C4' energy: -110.613 flat angles C4'-P-C4' energy: -85.303 flat angles P-C4'-P energy: -60.950 tors. eta vs tors. theta energy: 9.364 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 155 Temperature: 0.900000 Total energy: -2174.861887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2174.861887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2174.861887 (E_RNA) where: Base-Base interactions energy: -1440.061 where: short stacking energy: -622.549 Base-Backbone interact. energy: 3.273 local terms energy: -738.073344 where: bonds (distance) C4'-P energy: -133.424 bonds (distance) P-C4' energy: -149.553 flat angles C4'-P-C4' energy: -156.982 flat angles P-C4'-P energy: -110.824 tors. eta vs tors. theta energy: -187.291 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 155 Temperature: 0.950000 Total energy: -2112.890199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2112.890199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2112.890199 (E_RNA) where: Base-Base interactions energy: -1410.592 where: short stacking energy: -602.631 Base-Backbone interact. energy: 0.507 local terms energy: -702.804928 where: bonds (distance) C4'-P energy: -130.520 bonds (distance) P-C4' energy: -128.978 flat angles C4'-P-C4' energy: -160.305 flat angles P-C4'-P energy: -94.747 tors. eta vs tors. theta energy: -188.256 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: 10 ===================================== Write number: 155 Temperature: 1.000000 Total energy: -2031.564108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2031.564108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2031.564108 (E_RNA) where: Base-Base interactions energy: -1372.661 where: short stacking energy: -572.982 Base-Backbone interact. energy: -4.807 local terms energy: -654.095858 where: bonds (distance) C4'-P energy: -122.970 bonds (distance) P-C4' energy: -120.209 flat angles C4'-P-C4' energy: -141.848 flat angles P-C4'-P energy: -88.535 tors. eta vs tors. theta energy: -180.534 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 155 Temperature: 1.050000 Total energy: -1916.781875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1916.781875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1916.781875 (E_RNA) where: Base-Base interactions energy: -1259.770 where: short stacking energy: -582.289 Base-Backbone interact. energy: -1.959 local terms energy: -655.052254 where: bonds (distance) C4'-P energy: -119.054 bonds (distance) P-C4' energy: -120.249 flat angles C4'-P-C4' energy: -142.699 flat angles P-C4'-P energy: -87.657 tors. eta vs tors. theta energy: -185.393 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 155 Temperature: 1.100000 Total energy: -1719.094821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1719.094821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1719.094821 (E_RNA) where: Base-Base interactions energy: -1129.006 where: short stacking energy: -501.302 Base-Backbone interact. energy: 3.520 local terms energy: -593.609585 where: bonds (distance) C4'-P energy: -119.127 bonds (distance) P-C4' energy: -118.569 flat angles C4'-P-C4' energy: -133.374 flat angles P-C4'-P energy: -77.416 tors. eta vs tors. theta energy: -145.124 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: 155 Temperature: 1.150000 Total energy: -1449.717786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1449.717786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1449.717786 (E_RNA) where: Base-Base interactions energy: -899.155 where: short stacking energy: -400.702 Base-Backbone interact. energy: 3.079 local terms energy: -553.641918 where: bonds (distance) C4'-P energy: -122.777 bonds (distance) P-C4' energy: -107.440 flat angles C4'-P-C4' energy: -137.007 flat angles P-C4'-P energy: -73.328 tors. eta vs tors. theta energy: -113.090 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: 155 Temperature: 1.200000 Total energy: -1105.172537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1105.172537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1105.172537 (E_RNA) where: Base-Base interactions energy: -627.748 where: short stacking energy: -297.353 Base-Backbone interact. energy: -2.621 local terms energy: -474.803408 where: bonds (distance) C4'-P energy: -107.742 bonds (distance) P-C4' energy: -120.661 flat angles C4'-P-C4' energy: -128.168 flat angles P-C4'-P energy: -62.925 tors. eta vs tors. theta energy: -55.308 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 155 Temperature: 1.250000 Total energy: -936.171091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -936.171091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -936.171091 (E_RNA) where: Base-Base interactions energy: -469.759 where: short stacking energy: -246.758 Base-Backbone interact. energy: 0.689 local terms energy: -467.101433 where: bonds (distance) C4'-P energy: -127.193 bonds (distance) P-C4' energy: -123.341 flat angles C4'-P-C4' energy: -108.559 flat angles P-C4'-P energy: -67.064 tors. eta vs tors. theta energy: -40.945 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: 3 ===================================== Write number: 155 Temperature: 1.300000 Total energy: -633.929895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -633.929895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -633.929895 (E_RNA) where: Base-Base interactions energy: -272.715 where: short stacking energy: -158.434 Base-Backbone interact. energy: -3.429 local terms energy: -357.786138 where: bonds (distance) C4'-P energy: -115.450 bonds (distance) P-C4' energy: -104.898 flat angles C4'-P-C4' energy: -78.595 flat angles P-C4'-P energy: -72.182 tors. eta vs tors. theta energy: 13.338 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: 10, replica: 9 ===================================== Write number: 155 Temperature: 1.350000 Total energy: -518.771795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -518.771795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -518.771795 (E_RNA) where: Base-Base interactions energy: -178.134 where: short stacking energy: -110.382 Base-Backbone interact. energy: 5.285 local terms energy: -345.922111 where: bonds (distance) C4'-P energy: -106.888 bonds (distance) P-C4' energy: -135.652 flat angles C4'-P-C4' energy: -88.947 flat angles P-C4'-P energy: -55.530 tors. eta vs tors. theta energy: 41.093 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 156 Temperature: 0.900000 Total energy: -2179.280772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2179.280772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2179.280772 (E_RNA) where: Base-Base interactions energy: -1465.035 where: short stacking energy: -633.178 Base-Backbone interact. energy: -5.584 local terms energy: -708.661905 where: bonds (distance) C4'-P energy: -133.173 bonds (distance) P-C4' energy: -136.102 flat angles C4'-P-C4' energy: -147.719 flat angles P-C4'-P energy: -99.191 tors. eta vs tors. theta energy: -192.477 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 156 Temperature: 0.950000 Total energy: -2097.036408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2097.036408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2097.036408 (E_RNA) where: Base-Base interactions energy: -1406.072 where: short stacking energy: -589.633 Base-Backbone interact. energy: -4.103 local terms energy: -686.861846 where: bonds (distance) C4'-P energy: -119.192 bonds (distance) P-C4' energy: -127.306 flat angles C4'-P-C4' energy: -153.284 flat angles P-C4'-P energy: -98.368 tors. eta vs tors. theta energy: -188.712 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 156 Temperature: 1.000000 Total energy: -2035.985488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2035.985488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2035.985488 (E_RNA) where: Base-Base interactions energy: -1384.990 where: short stacking energy: -579.482 Base-Backbone interact. energy: -2.435 local terms energy: -648.560658 where: bonds (distance) C4'-P energy: -134.189 bonds (distance) P-C4' energy: -123.956 flat angles C4'-P-C4' energy: -144.122 flat angles P-C4'-P energy: -81.284 tors. eta vs tors. theta energy: -165.010 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 156 Temperature: 1.050000 Total energy: -1910.280877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1910.280877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1910.280877 (E_RNA) where: Base-Base interactions energy: -1255.567 where: short stacking energy: -547.693 Base-Backbone interact. energy: -0.651 local terms energy: -654.062788 where: bonds (distance) C4'-P energy: -113.266 bonds (distance) P-C4' energy: -127.280 flat angles C4'-P-C4' energy: -143.975 flat angles P-C4'-P energy: -84.137 tors. eta vs tors. theta energy: -185.405 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 156 Temperature: 1.100000 Total energy: -1790.268983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1790.268983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1790.268983 (E_RNA) where: Base-Base interactions energy: -1211.872 where: short stacking energy: -528.119 Base-Backbone interact. energy: 2.949 local terms energy: -581.346071 where: bonds (distance) C4'-P energy: -112.073 bonds (distance) P-C4' energy: -115.521 flat angles C4'-P-C4' energy: -128.603 flat angles P-C4'-P energy: -74.503 tors. eta vs tors. theta energy: -150.646 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: 7 ===================================== Write number: 156 Temperature: 1.150000 Total energy: -1397.694626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1397.694626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1397.694626 (E_RNA) where: Base-Base interactions energy: -892.453 where: short stacking energy: -425.225 Base-Backbone interact. energy: -0.682 local terms energy: -504.559781 where: bonds (distance) C4'-P energy: -110.261 bonds (distance) P-C4' energy: -106.233 flat angles C4'-P-C4' energy: -115.770 flat angles P-C4'-P energy: -52.582 tors. eta vs tors. theta energy: -119.713 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 156 Temperature: 1.200000 Total energy: -1113.570888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1113.570888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1113.570888 (E_RNA) where: Base-Base interactions energy: -618.013 where: short stacking energy: -303.482 Base-Backbone interact. energy: 3.777 local terms energy: -499.334787 where: bonds (distance) C4'-P energy: -118.699 bonds (distance) P-C4' energy: -109.680 flat angles C4'-P-C4' energy: -123.566 flat angles P-C4'-P energy: -71.131 tors. eta vs tors. theta energy: -76.259 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 156 Temperature: 1.250000 Total energy: -859.958389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -859.958389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -859.958389 (E_RNA) where: Base-Base interactions energy: -467.169 where: short stacking energy: -237.773 Base-Backbone interact. energy: 0.238 local terms energy: -393.027538 where: bonds (distance) C4'-P energy: -104.511 bonds (distance) P-C4' energy: -105.733 flat angles C4'-P-C4' energy: -95.999 flat angles P-C4'-P energy: -49.202 tors. eta vs tors. theta energy: -37.582 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 156 Temperature: 1.300000 Total energy: -567.922382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -567.922382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -567.922382 (E_RNA) where: Base-Base interactions energy: -223.361 where: short stacking energy: -185.440 Base-Backbone interact. energy: 3.577 local terms energy: -348.138724 where: bonds (distance) C4'-P energy: -103.330 bonds (distance) P-C4' energy: -101.102 flat angles C4'-P-C4' energy: -79.698 flat angles P-C4'-P energy: -57.873 tors. eta vs tors. theta energy: -6.135 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 156 Temperature: 1.350000 Total energy: -613.873882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -613.873882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -613.873882 (E_RNA) where: Base-Base interactions energy: -288.162 where: short stacking energy: -138.834 Base-Backbone interact. energy: -2.962 local terms energy: -322.750202 where: bonds (distance) C4'-P energy: -108.629 bonds (distance) P-C4' energy: -112.758 flat angles C4'-P-C4' energy: -92.881 flat angles P-C4'-P energy: -21.591 tors. eta vs tors. theta energy: 13.109 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 157 Temperature: 0.900000 Total energy: -2159.418058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2159.418058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2159.418058 (E_RNA) where: Base-Base interactions energy: -1456.554 where: short stacking energy: -623.565 Base-Backbone interact. energy: -3.656 local terms energy: -699.208031 where: bonds (distance) C4'-P energy: -120.805 bonds (distance) P-C4' energy: -130.455 flat angles C4'-P-C4' energy: -153.271 flat angles P-C4'-P energy: -93.631 tors. eta vs tors. theta energy: -201.046 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 157 Temperature: 0.950000 Total energy: -2122.282057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2122.282057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2122.282057 (E_RNA) where: Base-Base interactions energy: -1413.525 where: short stacking energy: -612.222 Base-Backbone interact. energy: -2.643 local terms energy: -706.114008 where: bonds (distance) C4'-P energy: -121.150 bonds (distance) P-C4' energy: -135.820 flat angles C4'-P-C4' energy: -151.179 flat angles P-C4'-P energy: -102.642 tors. eta vs tors. theta energy: -195.324 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: 10 ===================================== Write number: 157 Temperature: 1.000000 Total energy: -2046.556672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2046.556672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2046.556672 (E_RNA) where: Base-Base interactions energy: -1376.155 where: short stacking energy: -560.499 Base-Backbone interact. energy: -3.744 local terms energy: -666.657751 where: bonds (distance) C4'-P energy: -132.322 bonds (distance) P-C4' energy: -133.301 flat angles C4'-P-C4' energy: -129.616 flat angles P-C4'-P energy: -100.414 tors. eta vs tors. theta energy: -171.004 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: 2 ===================================== Write number: 157 Temperature: 1.050000 Total energy: -1869.440507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1869.440507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1869.440507 (E_RNA) where: Base-Base interactions energy: -1229.133 where: short stacking energy: -535.461 Base-Backbone interact. energy: 3.062 local terms energy: -643.369261 where: bonds (distance) C4'-P energy: -119.396 bonds (distance) P-C4' energy: -134.235 flat angles C4'-P-C4' energy: -132.486 flat angles P-C4'-P energy: -95.852 tors. eta vs tors. theta energy: -161.400 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: 8 ===================================== Write number: 157 Temperature: 1.100000 Total energy: -1716.880540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1716.880540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1716.880540 (E_RNA) where: Base-Base interactions energy: -1131.746 where: short stacking energy: -505.258 Base-Backbone interact. energy: 0.563 local terms energy: -585.697437 where: bonds (distance) C4'-P energy: -112.234 bonds (distance) P-C4' energy: -103.141 flat angles C4'-P-C4' energy: -144.051 flat angles P-C4'-P energy: -88.159 tors. eta vs tors. theta energy: -138.113 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: 157 Temperature: 1.150000 Total energy: -1465.685322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1465.685322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1465.685322 (E_RNA) where: Base-Base interactions energy: -929.263 where: short stacking energy: -417.649 Base-Backbone interact. energy: 0.808 local terms energy: -537.230009 where: bonds (distance) C4'-P energy: -107.144 bonds (distance) P-C4' energy: -122.534 flat angles C4'-P-C4' energy: -133.284 flat angles P-C4'-P energy: -61.859 tors. eta vs tors. theta energy: -112.410 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: 157 Temperature: 1.200000 Total energy: -1102.694419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1102.694419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1102.694419 (E_RNA) where: Base-Base interactions energy: -631.291 where: short stacking energy: -312.620 Base-Backbone interact. energy: -1.194 local terms energy: -470.209711 where: bonds (distance) C4'-P energy: -93.071 bonds (distance) P-C4' energy: -108.848 flat angles C4'-P-C4' energy: -132.283 flat angles P-C4'-P energy: -70.835 tors. eta vs tors. theta energy: -65.172 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: 1 ===================================== Write number: 157 Temperature: 1.250000 Total energy: -872.616352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -872.616352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -872.616352 (E_RNA) where: Base-Base interactions energy: -441.820 where: short stacking energy: -230.778 Base-Backbone interact. energy: -1.474 local terms energy: -429.322740 where: bonds (distance) C4'-P energy: -111.438 bonds (distance) P-C4' energy: -117.395 flat angles C4'-P-C4' energy: -103.208 flat angles P-C4'-P energy: -76.199 tors. eta vs tors. theta energy: -21.084 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 157 Temperature: 1.300000 Total energy: -612.731918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -612.731918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -612.731918 (E_RNA) where: Base-Base interactions energy: -218.746 where: short stacking energy: -136.787 Base-Backbone interact. energy: -0.621 local terms energy: -393.365128 where: bonds (distance) C4'-P energy: -117.703 bonds (distance) P-C4' energy: -116.292 flat angles C4'-P-C4' energy: -121.697 flat angles P-C4'-P energy: -59.642 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: 10, replica: 3 ===================================== Write number: 157 Temperature: 1.350000 Total energy: -584.032654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -584.032654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -584.032654 (E_RNA) where: Base-Base interactions energy: -243.671 where: short stacking energy: -147.170 Base-Backbone interact. energy: 7.428 local terms energy: -347.789647 where: bonds (distance) C4'-P energy: -100.242 bonds (distance) P-C4' energy: -117.993 flat angles C4'-P-C4' energy: -86.662 flat angles P-C4'-P energy: -76.392 tors. eta vs tors. theta energy: 33.501 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 158 Temperature: 0.900000 Total energy: -2162.160497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2162.160497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2162.160497 (E_RNA) where: Base-Base interactions energy: -1446.618 where: short stacking energy: -611.578 Base-Backbone interact. energy: -2.966 local terms energy: -712.576886 where: bonds (distance) C4'-P energy: -133.136 bonds (distance) P-C4' energy: -142.078 flat angles C4'-P-C4' energy: -142.886 flat angles P-C4'-P energy: -98.467 tors. eta vs tors. theta energy: -196.010 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 158 Temperature: 0.950000 Total energy: -2121.353256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2121.353256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2121.353256 (E_RNA) where: Base-Base interactions energy: -1425.935 where: short stacking energy: -588.276 Base-Backbone interact. energy: -3.276 local terms energy: -692.142737 where: bonds (distance) C4'-P energy: -129.438 bonds (distance) P-C4' energy: -130.436 flat angles C4'-P-C4' energy: -147.364 flat angles P-C4'-P energy: -102.147 tors. eta vs tors. theta energy: -182.758 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 158 Temperature: 1.000000 Total energy: -2038.254289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2038.254289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2038.254289 (E_RNA) where: Base-Base interactions energy: -1399.171 where: short stacking energy: -579.198 Base-Backbone interact. energy: -2.040 local terms energy: -637.043892 where: bonds (distance) C4'-P energy: -119.895 bonds (distance) P-C4' energy: -122.485 flat angles C4'-P-C4' energy: -137.500 flat angles P-C4'-P energy: -86.196 tors. eta vs tors. theta energy: -170.968 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 158 Temperature: 1.050000 Total energy: -1904.411401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1904.411401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1904.411401 (E_RNA) where: Base-Base interactions energy: -1258.969 where: short stacking energy: -550.290 Base-Backbone interact. energy: -0.780 local terms energy: -644.661815 where: bonds (distance) C4'-P energy: -114.902 bonds (distance) P-C4' energy: -134.511 flat angles C4'-P-C4' energy: -137.042 flat angles P-C4'-P energy: -88.101 tors. eta vs tors. theta energy: -170.106 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: 5, replica: 8 ===================================== Write number: 158 Temperature: 1.100000 Total energy: -1735.299000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1735.299000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1735.299000 (E_RNA) where: Base-Base interactions energy: -1158.013 where: short stacking energy: -496.660 Base-Backbone interact. energy: -0.416 local terms energy: -576.869742 where: bonds (distance) C4'-P energy: -107.271 bonds (distance) P-C4' energy: -111.418 flat angles C4'-P-C4' energy: -144.224 flat angles P-C4'-P energy: -80.717 tors. eta vs tors. theta energy: -133.240 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 158 Temperature: 1.150000 Total energy: -1375.781317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1375.781317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1375.781317 (E_RNA) where: Base-Base interactions energy: -852.823 where: short stacking energy: -391.239 Base-Backbone interact. energy: 0.711 local terms energy: -523.669065 where: bonds (distance) C4'-P energy: -108.383 bonds (distance) P-C4' energy: -131.539 flat angles C4'-P-C4' energy: -114.961 flat angles P-C4'-P energy: -66.933 tors. eta vs tors. theta energy: -101.852 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 158 Temperature: 1.200000 Total energy: -1156.136780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1156.136780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1156.136780 (E_RNA) where: Base-Base interactions energy: -706.942 where: short stacking energy: -344.234 Base-Backbone interact. energy: 1.537 local terms energy: -450.731422 where: bonds (distance) C4'-P energy: -101.779 bonds (distance) P-C4' energy: -129.119 flat angles C4'-P-C4' energy: -112.164 flat angles P-C4'-P energy: -43.113 tors. eta vs tors. theta energy: -64.557 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 158 Temperature: 1.250000 Total energy: -911.862149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -911.862149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -911.862149 (E_RNA) where: Base-Base interactions energy: -478.910 where: short stacking energy: -243.797 Base-Backbone interact. energy: -1.264 local terms energy: -431.688410 where: bonds (distance) C4'-P energy: -106.624 bonds (distance) P-C4' energy: -126.188 flat angles C4'-P-C4' energy: -86.307 flat angles P-C4'-P energy: -75.633 tors. eta vs tors. theta energy: -36.935 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 158 Temperature: 1.300000 Total energy: -656.759595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -656.759595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -656.759595 (E_RNA) where: Base-Base interactions energy: -266.549 where: short stacking energy: -153.948 Base-Backbone interact. energy: -2.261 local terms energy: -387.949794 where: bonds (distance) C4'-P energy: -110.931 bonds (distance) P-C4' energy: -118.739 flat angles C4'-P-C4' energy: -92.065 flat angles P-C4'-P energy: -64.379 tors. eta vs tors. theta energy: -1.836 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: 10, replica: 9 ===================================== Write number: 158 Temperature: 1.350000 Total energy: -523.914800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -523.914800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -523.914800 (E_RNA) where: Base-Base interactions energy: -222.843 where: short stacking energy: -156.567 Base-Backbone interact. energy: 4.031 local terms energy: -305.102524 where: bonds (distance) C4'-P energy: -124.508 bonds (distance) P-C4' energy: -94.029 flat angles C4'-P-C4' energy: -87.665 flat angles P-C4'-P energy: -16.667 tors. eta vs tors. theta energy: 17.767 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 159 Temperature: 0.900000 Total energy: -2194.336028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2194.336028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2194.336028 (E_RNA) where: Base-Base interactions energy: -1480.312 where: short stacking energy: -604.432 Base-Backbone interact. energy: -2.601 local terms energy: -711.423593 where: bonds (distance) C4'-P energy: -136.596 bonds (distance) P-C4' energy: -133.431 flat angles C4'-P-C4' energy: -145.382 flat angles P-C4'-P energy: -99.062 tors. eta vs tors. theta energy: -196.952 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: 2, replica: 6 ===================================== Write number: 159 Temperature: 0.950000 Total energy: -2119.460905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2119.460905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2119.460905 (E_RNA) where: Base-Base interactions energy: -1394.212 where: short stacking energy: -616.023 Base-Backbone interact. energy: -0.139 local terms energy: -725.110462 where: bonds (distance) C4'-P energy: -134.094 bonds (distance) P-C4' energy: -130.395 flat angles C4'-P-C4' energy: -153.669 flat angles P-C4'-P energy: -104.539 tors. eta vs tors. theta energy: -202.414 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: 3, replica: 10 ===================================== Write number: 159 Temperature: 1.000000 Total energy: -2071.132685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2071.132685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2071.132685 (E_RNA) where: Base-Base interactions energy: -1406.192 where: short stacking energy: -579.536 Base-Backbone interact. energy: -3.020 local terms energy: -661.920143 where: bonds (distance) C4'-P energy: -133.966 bonds (distance) P-C4' energy: -125.641 flat angles C4'-P-C4' energy: -141.497 flat angles P-C4'-P energy: -78.644 tors. eta vs tors. theta energy: -182.172 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: 4, replica: 2 ===================================== Write number: 159 Temperature: 1.050000 Total energy: -1880.807760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1880.807760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1880.807760 (E_RNA) where: Base-Base interactions energy: -1258.202 where: short stacking energy: -517.496 Base-Backbone interact. energy: -2.399 local terms energy: -620.207138 where: bonds (distance) C4'-P energy: -115.436 bonds (distance) P-C4' energy: -128.421 flat angles C4'-P-C4' energy: -135.071 flat angles P-C4'-P energy: -80.698 tors. eta vs tors. theta energy: -160.581 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: 159 Temperature: 1.100000 Total energy: -1731.891714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1731.891714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1731.891714 (E_RNA) where: Base-Base interactions energy: -1136.825 where: short stacking energy: -509.365 Base-Backbone interact. energy: -2.291 local terms energy: -592.776119 where: bonds (distance) C4'-P energy: -114.131 bonds (distance) P-C4' energy: -110.646 flat angles C4'-P-C4' energy: -130.530 flat angles P-C4'-P energy: -87.287 tors. eta vs tors. theta energy: -150.182 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 159 Temperature: 1.150000 Total energy: -1358.130898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1358.130898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1358.130898 (E_RNA) where: Base-Base interactions energy: -807.666 where: short stacking energy: -369.513 Base-Backbone interact. energy: 0.969 local terms energy: -551.434053 where: bonds (distance) C4'-P energy: -126.414 bonds (distance) P-C4' energy: -123.255 flat angles C4'-P-C4' energy: -117.071 flat angles P-C4'-P energy: -89.913 tors. eta vs tors. theta energy: -94.782 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 159 Temperature: 1.200000 Total energy: -1061.337673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1061.337673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1061.337673 (E_RNA) where: Base-Base interactions energy: -612.057 where: short stacking energy: -265.264 Base-Backbone interact. energy: 2.082 local terms energy: -451.361779 where: bonds (distance) C4'-P energy: -113.288 bonds (distance) P-C4' energy: -124.692 flat angles C4'-P-C4' energy: -106.557 flat angles P-C4'-P energy: -78.348 tors. eta vs tors. theta energy: -28.477 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: 8, replica: 1 ===================================== Write number: 159 Temperature: 1.250000 Total energy: -914.277688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -914.277688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -914.277688 (E_RNA) where: Base-Base interactions energy: -494.294 where: short stacking energy: -226.925 Base-Backbone interact. energy: 1.626 local terms energy: -421.610008 where: bonds (distance) C4'-P energy: -125.423 bonds (distance) P-C4' energy: -134.846 flat angles C4'-P-C4' energy: -94.307 flat angles P-C4'-P energy: -51.605 tors. eta vs tors. theta energy: -15.429 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: 3 ===================================== Write number: 159 Temperature: 1.300000 Total energy: -809.709191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -809.709191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -809.709191 (E_RNA) where: Base-Base interactions energy: -424.380 where: short stacking energy: -226.345 Base-Backbone interact. energy: -1.902 local terms energy: -383.427740 where: bonds (distance) C4'-P energy: -114.098 bonds (distance) P-C4' energy: -112.557 flat angles C4'-P-C4' energy: -91.494 flat angles P-C4'-P energy: -46.871 tors. eta vs tors. theta energy: -18.408 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 159 Temperature: 1.350000 Total energy: -491.782063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -491.782063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -491.782063 (E_RNA) where: Base-Base interactions energy: -140.583 where: short stacking energy: -126.389 Base-Backbone interact. energy: -1.325 local terms energy: -349.873953 where: bonds (distance) C4'-P energy: -110.150 bonds (distance) P-C4' energy: -104.394 flat angles C4'-P-C4' energy: -73.178 flat angles P-C4'-P energy: -76.554 tors. eta vs tors. theta energy: 14.402 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 160 Temperature: 0.900000 Total energy: -2174.727067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2174.727067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2174.727067 (E_RNA) where: Base-Base interactions energy: -1444.238 where: short stacking energy: -620.230 Base-Backbone interact. energy: -5.674 local terms energy: -724.815323 where: bonds (distance) C4'-P energy: -133.979 bonds (distance) P-C4' energy: -140.869 flat angles C4'-P-C4' energy: -152.758 flat angles P-C4'-P energy: -108.556 tors. eta vs tors. theta energy: -188.654 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: 6 ===================================== Write number: 160 Temperature: 0.950000 Total energy: -2132.228284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2132.228284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2132.228284 (E_RNA) where: Base-Base interactions energy: -1428.951 where: short stacking energy: -629.776 Base-Backbone interact. energy: 0.728 local terms energy: -704.004644 where: bonds (distance) C4'-P energy: -123.445 bonds (distance) P-C4' energy: -130.041 flat angles C4'-P-C4' energy: -150.917 flat angles P-C4'-P energy: -106.557 tors. eta vs tors. theta energy: -193.044 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 160 Temperature: 1.000000 Total energy: -2063.391946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2063.391946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2063.391946 (E_RNA) where: Base-Base interactions energy: -1433.074 where: short stacking energy: -587.085 Base-Backbone interact. energy: 0.170 local terms energy: -630.488617 where: bonds (distance) C4'-P energy: -118.008 bonds (distance) P-C4' energy: -128.778 flat angles C4'-P-C4' energy: -130.369 flat angles P-C4'-P energy: -85.173 tors. eta vs tors. theta energy: -168.161 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 160 Temperature: 1.050000 Total energy: -1859.752285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1859.752285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1859.752285 (E_RNA) where: Base-Base interactions energy: -1242.347 where: short stacking energy: -543.061 Base-Backbone interact. energy: -3.199 local terms energy: -614.206090 where: bonds (distance) C4'-P energy: -121.071 bonds (distance) P-C4' energy: -114.441 flat angles C4'-P-C4' energy: -132.034 flat angles P-C4'-P energy: -83.003 tors. eta vs tors. theta energy: -163.657 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: 160 Temperature: 1.100000 Total energy: -1728.322215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1728.322215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1728.322215 (E_RNA) where: Base-Base interactions energy: -1137.741 where: short stacking energy: -496.131 Base-Backbone interact. energy: 4.386 local terms energy: -594.966397 where: bonds (distance) C4'-P energy: -121.929 bonds (distance) P-C4' energy: -120.633 flat angles C4'-P-C4' energy: -141.180 flat angles P-C4'-P energy: -70.290 tors. eta vs tors. theta energy: -140.935 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 160 Temperature: 1.150000 Total energy: -1350.943603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1350.943603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1350.943603 (E_RNA) where: Base-Base interactions energy: -833.152 where: short stacking energy: -387.521 Base-Backbone interact. energy: 1.809 local terms energy: -519.600837 where: bonds (distance) C4'-P energy: -128.892 bonds (distance) P-C4' energy: -109.941 flat angles C4'-P-C4' energy: -112.864 flat angles P-C4'-P energy: -66.357 tors. eta vs tors. theta energy: -101.546 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: 160 Temperature: 1.200000 Total energy: -1189.524660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1189.524660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1189.524660 (E_RNA) where: Base-Base interactions energy: -700.062 where: short stacking energy: -329.842 Base-Backbone interact. energy: 3.159 local terms energy: -492.621330 where: bonds (distance) C4'-P energy: -126.834 bonds (distance) P-C4' energy: -108.383 flat angles C4'-P-C4' energy: -110.363 flat angles P-C4'-P energy: -76.852 tors. eta vs tors. theta energy: -70.189 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 160 Temperature: 1.250000 Total energy: -961.425318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -961.425318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -961.425318 (E_RNA) where: Base-Base interactions energy: -519.720 where: short stacking energy: -268.777 Base-Backbone interact. energy: -0.247 local terms energy: -441.458349 where: bonds (distance) C4'-P energy: -124.382 bonds (distance) P-C4' energy: -121.498 flat angles C4'-P-C4' energy: -87.475 flat angles P-C4'-P energy: -69.707 tors. eta vs tors. theta energy: -38.397 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: 3 ===================================== Write number: 160 Temperature: 1.300000 Total energy: -749.582975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -749.582975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -749.582975 (E_RNA) where: Base-Base interactions energy: -382.466 where: short stacking energy: -212.082 Base-Backbone interact. energy: 1.046 local terms energy: -368.162987 where: bonds (distance) C4'-P energy: -98.067 bonds (distance) P-C4' energy: -110.885 flat angles C4'-P-C4' energy: -108.042 flat angles P-C4'-P energy: -61.072 tors. eta vs tors. theta energy: 9.902 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 160 Temperature: 1.350000 Total energy: -491.207775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -491.207775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -491.207775 (E_RNA) where: Base-Base interactions energy: -169.360 where: short stacking energy: -110.611 Base-Backbone interact. energy: -1.556 local terms energy: -320.291545 where: bonds (distance) C4'-P energy: -100.572 bonds (distance) P-C4' energy: -112.423 flat angles C4'-P-C4' energy: -91.945 flat angles P-C4'-P energy: -50.429 tors. eta vs tors. theta energy: 35.078 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 161 Temperature: 0.900000 Total energy: -2191.288914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2191.288914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2191.288914 (E_RNA) where: Base-Base interactions energy: -1484.089 where: short stacking energy: -626.355 Base-Backbone interact. energy: -3.079 local terms energy: -704.120606 where: bonds (distance) C4'-P energy: -135.678 bonds (distance) P-C4' energy: -125.367 flat angles C4'-P-C4' energy: -150.100 flat angles P-C4'-P energy: -116.227 tors. eta vs tors. theta energy: -176.748 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 161 Temperature: 0.950000 Total energy: -2096.145536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2096.145536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2096.145536 (E_RNA) where: Base-Base interactions energy: -1397.762 where: short stacking energy: -577.036 Base-Backbone interact. energy: -3.163 local terms energy: -695.220736 where: bonds (distance) C4'-P energy: -134.944 bonds (distance) P-C4' energy: -134.979 flat angles C4'-P-C4' energy: -153.006 flat angles P-C4'-P energy: -86.589 tors. eta vs tors. theta energy: -185.703 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: 6 ===================================== Write number: 161 Temperature: 1.000000 Total energy: -2049.557056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2049.557056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2049.557056 (E_RNA) where: Base-Base interactions energy: -1391.062 where: short stacking energy: -584.724 Base-Backbone interact. energy: -2.824 local terms energy: -655.670575 where: bonds (distance) C4'-P energy: -113.615 bonds (distance) P-C4' energy: -120.874 flat angles C4'-P-C4' energy: -141.054 flat angles P-C4'-P energy: -88.279 tors. eta vs tors. theta energy: -191.849 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 161 Temperature: 1.050000 Total energy: -1909.746050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1909.746050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1909.746050 (E_RNA) where: Base-Base interactions energy: -1260.553 where: short stacking energy: -546.102 Base-Backbone interact. energy: -1.931 local terms energy: -647.262195 where: bonds (distance) C4'-P energy: -109.016 bonds (distance) P-C4' energy: -132.316 flat angles C4'-P-C4' energy: -136.667 flat angles P-C4'-P energy: -88.748 tors. eta vs tors. theta energy: -180.516 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: 8 ===================================== Write number: 161 Temperature: 1.100000 Total energy: -1726.914130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1726.914130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1726.914130 (E_RNA) where: Base-Base interactions energy: -1142.502 where: short stacking energy: -497.681 Base-Backbone interact. energy: -2.325 local terms energy: -582.086941 where: bonds (distance) C4'-P energy: -113.711 bonds (distance) P-C4' energy: -119.829 flat angles C4'-P-C4' energy: -128.076 flat angles P-C4'-P energy: -85.500 tors. eta vs tors. theta energy: -134.971 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: 6, replica: 7 ===================================== Write number: 161 Temperature: 1.150000 Total energy: -1259.633794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1259.633794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1259.633794 (E_RNA) where: Base-Base interactions energy: -747.119 where: short stacking energy: -333.889 Base-Backbone interact. energy: 2.975 local terms energy: -515.490518 where: bonds (distance) C4'-P energy: -112.021 bonds (distance) P-C4' energy: -120.998 flat angles C4'-P-C4' energy: -127.083 flat angles P-C4'-P energy: -85.165 tors. eta vs tors. theta energy: -70.223 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: 7, replica: 4 ===================================== Write number: 161 Temperature: 1.200000 Total energy: -1143.114864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1143.114864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1143.114864 (E_RNA) where: Base-Base interactions energy: -670.671 where: short stacking energy: -319.784 Base-Backbone interact. energy: -0.134 local terms energy: -472.310764 where: bonds (distance) C4'-P energy: -117.365 bonds (distance) P-C4' energy: -100.285 flat angles C4'-P-C4' energy: -104.005 flat angles P-C4'-P energy: -80.641 tors. eta vs tors. theta energy: -70.014 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 161 Temperature: 1.250000 Total energy: -909.449516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -909.449516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -909.449516 (E_RNA) where: Base-Base interactions energy: -496.167 where: short stacking energy: -255.465 Base-Backbone interact. energy: 1.337 local terms energy: -414.619273 where: bonds (distance) C4'-P energy: -105.000 bonds (distance) P-C4' energy: -125.827 flat angles C4'-P-C4' energy: -103.624 flat angles P-C4'-P energy: -48.639 tors. eta vs tors. theta energy: -31.529 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 161 Temperature: 1.300000 Total energy: -751.002391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -751.002391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -751.002391 (E_RNA) where: Base-Base interactions energy: -352.426 where: short stacking energy: -211.865 Base-Backbone interact. energy: 0.874 local terms energy: -399.450147 where: bonds (distance) C4'-P energy: -124.286 bonds (distance) P-C4' energy: -120.359 flat angles C4'-P-C4' energy: -81.961 flat angles P-C4'-P energy: -61.591 tors. eta vs tors. theta energy: -11.253 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 161 Temperature: 1.350000 Total energy: -521.203891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -521.203891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -521.203891 (E_RNA) where: Base-Base interactions energy: -212.758 where: short stacking energy: -138.588 Base-Backbone interact. energy: 2.475 local terms energy: -310.921068 where: bonds (distance) C4'-P energy: -113.749 bonds (distance) P-C4' energy: -86.761 flat angles C4'-P-C4' energy: -83.392 flat angles P-C4'-P energy: -53.998 tors. eta vs tors. theta energy: 26.979 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 162 Temperature: 0.900000 Total energy: -2215.836490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2215.836490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2215.836490 (E_RNA) where: Base-Base interactions energy: -1505.070 where: short stacking energy: -629.849 Base-Backbone interact. energy: -3.919 local terms energy: -706.847064 where: bonds (distance) C4'-P energy: -119.683 bonds (distance) P-C4' energy: -138.577 flat angles C4'-P-C4' energy: -149.904 flat angles P-C4'-P energy: -108.904 tors. eta vs tors. theta energy: -189.779 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 162 Temperature: 0.950000 Total energy: -2136.179969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2136.179969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2136.179969 (E_RNA) where: Base-Base interactions energy: -1459.900 where: short stacking energy: -580.854 Base-Backbone interact. energy: 0.707 local terms energy: -676.987634 where: bonds (distance) C4'-P energy: -122.929 bonds (distance) P-C4' energy: -136.775 flat angles C4'-P-C4' energy: -142.048 flat angles P-C4'-P energy: -95.612 tors. eta vs tors. theta energy: -179.624 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: 6 ===================================== Write number: 162 Temperature: 1.000000 Total energy: -2041.749003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2041.749003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2041.749003 (E_RNA) where: Base-Base interactions energy: -1403.500 where: short stacking energy: -582.262 Base-Backbone interact. energy: -3.100 local terms energy: -635.149155 where: bonds (distance) C4'-P energy: -118.525 bonds (distance) P-C4' energy: -120.156 flat angles C4'-P-C4' energy: -139.413 flat angles P-C4'-P energy: -81.128 tors. eta vs tors. theta energy: -175.927 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 162 Temperature: 1.050000 Total energy: -1899.223932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1899.223932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1899.223932 (E_RNA) where: Base-Base interactions energy: -1248.992 where: short stacking energy: -551.073 Base-Backbone interact. energy: 3.470 local terms energy: -653.701339 where: bonds (distance) C4'-P energy: -115.698 bonds (distance) P-C4' energy: -121.779 flat angles C4'-P-C4' energy: -144.215 flat angles P-C4'-P energy: -94.486 tors. eta vs tors. theta energy: -177.523 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 162 Temperature: 1.100000 Total energy: -1692.393473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1692.393473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1692.393473 (E_RNA) where: Base-Base interactions energy: -1102.707 where: short stacking energy: -500.232 Base-Backbone interact. energy: 2.048 local terms energy: -591.734024 where: bonds (distance) C4'-P energy: -115.525 bonds (distance) P-C4' energy: -114.337 flat angles C4'-P-C4' energy: -132.247 flat angles P-C4'-P energy: -78.170 tors. eta vs tors. theta energy: -151.456 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 162 Temperature: 1.150000 Total energy: -1354.996971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1354.996971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1354.996971 (E_RNA) where: Base-Base interactions energy: -851.492 where: short stacking energy: -361.612 Base-Backbone interact. energy: 1.050 local terms energy: -504.555345 where: bonds (distance) C4'-P energy: -93.207 bonds (distance) P-C4' energy: -134.577 flat angles C4'-P-C4' energy: -115.667 flat angles P-C4'-P energy: -71.246 tors. eta vs tors. theta energy: -89.859 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 162 Temperature: 1.200000 Total energy: -1183.347551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1183.347551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1183.347551 (E_RNA) where: Base-Base interactions energy: -690.444 where: short stacking energy: -334.537 Base-Backbone interact. energy: -3.559 local terms energy: -489.344963 where: bonds (distance) C4'-P energy: -114.301 bonds (distance) P-C4' energy: -119.003 flat angles C4'-P-C4' energy: -112.312 flat angles P-C4'-P energy: -80.963 tors. eta vs tors. theta energy: -62.766 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: 8, replica: 1 ===================================== Write number: 162 Temperature: 1.250000 Total energy: -922.342918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -922.342918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -922.342918 (E_RNA) where: Base-Base interactions energy: -511.940 where: short stacking energy: -236.926 Base-Backbone interact. energy: -0.654 local terms energy: -409.749454 where: bonds (distance) C4'-P energy: -112.938 bonds (distance) P-C4' energy: -110.054 flat angles C4'-P-C4' energy: -106.429 flat angles P-C4'-P energy: -58.125 tors. eta vs tors. theta energy: -22.204 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 162 Temperature: 1.300000 Total energy: -751.790953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -751.790953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -751.790953 (E_RNA) where: Base-Base interactions energy: -365.178 where: short stacking energy: -181.135 Base-Backbone interact. energy: -0.846 local terms energy: -385.766650 where: bonds (distance) C4'-P energy: -112.630 bonds (distance) P-C4' energy: -115.049 flat angles C4'-P-C4' energy: -112.564 flat angles P-C4'-P energy: -64.973 tors. eta vs tors. theta energy: 19.450 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: 10, replica: 9 ===================================== Write number: 162 Temperature: 1.350000 Total energy: -499.858826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -499.858826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -499.858826 (E_RNA) where: Base-Base interactions energy: -158.951 where: short stacking energy: -129.167 Base-Backbone interact. energy: -0.323 local terms energy: -340.584970 where: bonds (distance) C4'-P energy: -92.681 bonds (distance) P-C4' energy: -118.151 flat angles C4'-P-C4' energy: -83.752 flat angles P-C4'-P energy: -65.308 tors. eta vs tors. theta energy: 19.308 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 163 Temperature: 0.900000 Total energy: -2197.511365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2197.511365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2197.511365 (E_RNA) where: Base-Base interactions energy: -1476.735 where: short stacking energy: -628.175 Base-Backbone interact. energy: -6.219 local terms energy: -714.557268 where: bonds (distance) C4'-P energy: -122.694 bonds (distance) P-C4' energy: -142.020 flat angles C4'-P-C4' energy: -155.381 flat angles P-C4'-P energy: -113.566 tors. eta vs tors. theta energy: -180.896 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: 2, replica: 10 ===================================== Write number: 163 Temperature: 0.950000 Total energy: -2141.948210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2141.948210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2141.948210 (E_RNA) where: Base-Base interactions energy: -1472.946 where: short stacking energy: -598.546 Base-Backbone interact. energy: 1.109 local terms energy: -670.111311 where: bonds (distance) C4'-P energy: -129.883 bonds (distance) P-C4' energy: -106.770 flat angles C4'-P-C4' energy: -154.159 flat angles P-C4'-P energy: -85.025 tors. eta vs tors. theta energy: -194.275 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 163 Temperature: 1.000000 Total energy: -2012.963744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2012.963744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2012.963744 (E_RNA) where: Base-Base interactions energy: -1353.885 where: short stacking energy: -580.144 Base-Backbone interact. energy: -2.251 local terms energy: -656.827866 where: bonds (distance) C4'-P energy: -124.819 bonds (distance) P-C4' energy: -135.080 flat angles C4'-P-C4' energy: -143.557 flat angles P-C4'-P energy: -83.688 tors. eta vs tors. theta energy: -169.685 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: 163 Temperature: 1.050000 Total energy: -1922.238114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1922.238114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1922.238114 (E_RNA) where: Base-Base interactions energy: -1270.027 where: short stacking energy: -557.071 Base-Backbone interact. energy: -4.915 local terms energy: -647.296139 where: bonds (distance) C4'-P energy: -135.349 bonds (distance) P-C4' energy: -130.778 flat angles C4'-P-C4' energy: -136.156 flat angles P-C4'-P energy: -70.655 tors. eta vs tors. theta energy: -174.358 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 163 Temperature: 1.100000 Total energy: -1743.666053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1743.666053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1743.666053 (E_RNA) where: Base-Base interactions energy: -1153.055 where: short stacking energy: -496.879 Base-Backbone interact. energy: 2.637 local terms energy: -593.247910 where: bonds (distance) C4'-P energy: -114.866 bonds (distance) P-C4' energy: -132.271 flat angles C4'-P-C4' energy: -124.933 flat angles P-C4'-P energy: -64.259 tors. eta vs tors. theta energy: -156.919 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 163 Temperature: 1.150000 Total energy: -1391.168992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1391.168992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1391.168992 (E_RNA) where: Base-Base interactions energy: -871.372 where: short stacking energy: -387.034 Base-Backbone interact. energy: 1.256 local terms energy: -521.053704 where: bonds (distance) C4'-P energy: -106.421 bonds (distance) P-C4' energy: -120.330 flat angles C4'-P-C4' energy: -120.825 flat angles P-C4'-P energy: -81.163 tors. eta vs tors. theta energy: -92.313 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: 4 ===================================== Write number: 163 Temperature: 1.200000 Total energy: -1191.335953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1191.335953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1191.335953 (E_RNA) where: Base-Base interactions energy: -693.000 where: short stacking energy: -321.720 Base-Backbone interact. energy: 2.629 local terms energy: -500.964949 where: bonds (distance) C4'-P energy: -111.902 bonds (distance) P-C4' energy: -123.239 flat angles C4'-P-C4' energy: -110.686 flat angles P-C4'-P energy: -70.775 tors. eta vs tors. theta energy: -84.362 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: 1 ===================================== Write number: 163 Temperature: 1.250000 Total energy: -903.500182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -903.500182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -903.500182 (E_RNA) where: Base-Base interactions energy: -482.124 where: short stacking energy: -245.567 Base-Backbone interact. energy: -0.056 local terms energy: -421.320348 where: bonds (distance) C4'-P energy: -118.152 bonds (distance) P-C4' energy: -109.982 flat angles C4'-P-C4' energy: -110.351 flat angles P-C4'-P energy: -64.056 tors. eta vs tors. theta energy: -18.778 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 163 Temperature: 1.300000 Total energy: -702.536188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -702.536188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -702.536188 (E_RNA) where: Base-Base interactions energy: -334.907 where: short stacking energy: -175.751 Base-Backbone interact. energy: -2.677 local terms energy: -364.952179 where: bonds (distance) C4'-P energy: -108.795 bonds (distance) P-C4' energy: -113.290 flat angles C4'-P-C4' energy: -84.471 flat angles P-C4'-P energy: -65.233 tors. eta vs tors. theta energy: 6.837 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 163 Temperature: 1.350000 Total energy: -495.166215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -495.166215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -495.166215 (E_RNA) where: Base-Base interactions energy: -192.817 where: short stacking energy: -139.959 Base-Backbone interact. energy: -4.722 local terms energy: -297.626710 where: bonds (distance) C4'-P energy: -98.604 bonds (distance) P-C4' energy: -111.351 flat angles C4'-P-C4' energy: -63.339 flat angles P-C4'-P energy: -47.742 tors. eta vs tors. theta energy: 23.409 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: 10 ===================================== Write number: 164 Temperature: 0.900000 Total energy: -2169.624305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2169.624305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2169.624305 (E_RNA) where: Base-Base interactions energy: -1475.702 where: short stacking energy: -602.855 Base-Backbone interact. energy: -5.922 local terms energy: -687.999980 where: bonds (distance) C4'-P energy: -136.861 bonds (distance) P-C4' energy: -129.462 flat angles C4'-P-C4' energy: -154.721 flat angles P-C4'-P energy: -83.150 tors. eta vs tors. theta energy: -183.806 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 164 Temperature: 0.950000 Total energy: -2144.402662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2144.402662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2144.402662 (E_RNA) where: Base-Base interactions energy: -1457.599 where: short stacking energy: -610.486 Base-Backbone interact. energy: -3.076 local terms energy: -683.727505 where: bonds (distance) C4'-P energy: -115.228 bonds (distance) P-C4' energy: -141.663 flat angles C4'-P-C4' energy: -147.958 flat angles P-C4'-P energy: -94.222 tors. eta vs tors. theta energy: -184.657 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 164 Temperature: 1.000000 Total energy: -2017.873187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2017.873187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2017.873187 (E_RNA) where: Base-Base interactions energy: -1369.469 where: short stacking energy: -562.853 Base-Backbone interact. energy: -2.899 local terms energy: -645.506025 where: bonds (distance) C4'-P energy: -111.443 bonds (distance) P-C4' energy: -116.808 flat angles C4'-P-C4' energy: -145.537 flat angles P-C4'-P energy: -90.899 tors. eta vs tors. theta energy: -180.820 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: 4, replica: 2 ===================================== Write number: 164 Temperature: 1.050000 Total energy: -1931.004752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1931.004752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1931.004752 (E_RNA) where: Base-Base interactions energy: -1318.375 where: short stacking energy: -565.772 Base-Backbone interact. energy: -2.929 local terms energy: -609.700343 where: bonds (distance) C4'-P energy: -105.746 bonds (distance) P-C4' energy: -109.045 flat angles C4'-P-C4' energy: -148.129 flat angles P-C4'-P energy: -87.349 tors. eta vs tors. theta energy: -159.431 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 164 Temperature: 1.100000 Total energy: -1722.244366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1722.244366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1722.244366 (E_RNA) where: Base-Base interactions energy: -1107.317 where: short stacking energy: -489.812 Base-Backbone interact. energy: 0.025 local terms energy: -614.952413 where: bonds (distance) C4'-P energy: -120.064 bonds (distance) P-C4' energy: -111.978 flat angles C4'-P-C4' energy: -136.385 flat angles P-C4'-P energy: -100.690 tors. eta vs tors. theta energy: -145.836 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 164 Temperature: 1.150000 Total energy: -1394.506785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1394.506785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1394.506785 (E_RNA) where: Base-Base interactions energy: -882.209 where: short stacking energy: -404.693 Base-Backbone interact. energy: -1.069 local terms energy: -511.228746 where: bonds (distance) C4'-P energy: -107.256 bonds (distance) P-C4' energy: -105.665 flat angles C4'-P-C4' energy: -118.710 flat angles P-C4'-P energy: -72.861 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: 7, replica: 4 ===================================== Write number: 164 Temperature: 1.200000 Total energy: -1222.300043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1222.300043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1222.300043 (E_RNA) where: Base-Base interactions energy: -729.642 where: short stacking energy: -351.164 Base-Backbone interact. energy: 3.625 local terms energy: -496.282708 where: bonds (distance) C4'-P energy: -118.187 bonds (distance) P-C4' energy: -113.652 flat angles C4'-P-C4' energy: -110.819 flat angles P-C4'-P energy: -74.177 tors. eta vs tors. theta energy: -79.448 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: 164 Temperature: 1.250000 Total energy: -894.550028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -894.550028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -894.550028 (E_RNA) where: Base-Base interactions energy: -468.620 where: short stacking energy: -258.666 Base-Backbone interact. energy: 0.974 local terms energy: -426.903989 where: bonds (distance) C4'-P energy: -92.890 bonds (distance) P-C4' energy: -132.555 flat angles C4'-P-C4' energy: -104.390 flat angles P-C4'-P energy: -66.712 tors. eta vs tors. theta energy: -30.357 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: 3 ===================================== Write number: 164 Temperature: 1.300000 Total energy: -755.377334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -755.377334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -755.377334 (E_RNA) where: Base-Base interactions energy: -395.641 where: short stacking energy: -201.483 Base-Backbone interact. energy: -1.661 local terms energy: -358.075026 where: bonds (distance) C4'-P energy: -100.439 bonds (distance) P-C4' energy: -117.780 flat angles C4'-P-C4' energy: -87.071 flat angles P-C4'-P energy: -55.217 tors. eta vs tors. theta energy: 2.432 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: 9 ===================================== Write number: 164 Temperature: 1.350000 Total energy: -507.890032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -507.890032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -507.890032 (E_RNA) where: Base-Base interactions energy: -182.674 where: short stacking energy: -122.552 Base-Backbone interact. energy: 0.937 local terms energy: -326.153543 where: bonds (distance) C4'-P energy: -99.029 bonds (distance) P-C4' energy: -127.229 flat angles C4'-P-C4' energy: -75.313 flat angles P-C4'-P energy: -60.689 tors. eta vs tors. theta energy: 36.107 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 165 Temperature: 0.900000 Total energy: -2189.887812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2189.887812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2189.887812 (E_RNA) where: Base-Base interactions energy: -1496.881 where: short stacking energy: -597.133 Base-Backbone interact. energy: -4.048 local terms energy: -688.958938 where: bonds (distance) C4'-P energy: -134.992 bonds (distance) P-C4' energy: -128.136 flat angles C4'-P-C4' energy: -152.991 flat angles P-C4'-P energy: -89.572 tors. eta vs tors. theta energy: -183.267 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: 5 ===================================== Write number: 165 Temperature: 0.950000 Total energy: -2132.754606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2132.754606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2132.754606 (E_RNA) where: Base-Base interactions energy: -1430.050 where: short stacking energy: -605.998 Base-Backbone interact. energy: -3.365 local terms energy: -699.339783 where: bonds (distance) C4'-P energy: -118.070 bonds (distance) P-C4' energy: -134.011 flat angles C4'-P-C4' energy: -157.026 flat angles P-C4'-P energy: -108.278 tors. eta vs tors. theta energy: -181.954 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 165 Temperature: 1.000000 Total energy: -2027.472615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2027.472615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2027.472615 (E_RNA) where: Base-Base interactions energy: -1374.779 where: short stacking energy: -566.283 Base-Backbone interact. energy: 0.500 local terms energy: -653.194523 where: bonds (distance) C4'-P energy: -125.390 bonds (distance) P-C4' energy: -135.362 flat angles C4'-P-C4' energy: -144.444 flat angles P-C4'-P energy: -87.468 tors. eta vs tors. theta energy: -160.531 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: 4, replica: 2 ===================================== Write number: 165 Temperature: 1.050000 Total energy: -1930.523179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1930.523179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1930.523179 (E_RNA) where: Base-Base interactions energy: -1302.437 where: short stacking energy: -550.230 Base-Backbone interact. energy: 0.273 local terms energy: -628.359357 where: bonds (distance) C4'-P energy: -119.770 bonds (distance) P-C4' energy: -124.964 flat angles C4'-P-C4' energy: -140.692 flat angles P-C4'-P energy: -82.476 tors. eta vs tors. theta energy: -160.457 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: 8 ===================================== Write number: 165 Temperature: 1.100000 Total energy: -1756.497069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1756.497069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1756.497069 (E_RNA) where: Base-Base interactions energy: -1157.477 where: short stacking energy: -481.424 Base-Backbone interact. energy: -6.603 local terms energy: -592.416367 where: bonds (distance) C4'-P energy: -110.766 bonds (distance) P-C4' energy: -118.501 flat angles C4'-P-C4' energy: -132.047 flat angles P-C4'-P energy: -90.336 tors. eta vs tors. theta energy: -140.766 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: 165 Temperature: 1.150000 Total energy: -1435.415171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1435.415171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1435.415171 (E_RNA) where: Base-Base interactions energy: -901.554 where: short stacking energy: -389.296 Base-Backbone interact. energy: -2.311 local terms energy: -531.550287 where: bonds (distance) C4'-P energy: -129.089 bonds (distance) P-C4' energy: -119.229 flat angles C4'-P-C4' energy: -116.846 flat angles P-C4'-P energy: -81.876 tors. eta vs tors. theta energy: -84.511 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 165 Temperature: 1.200000 Total energy: -1147.832314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1147.832314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1147.832314 (E_RNA) where: Base-Base interactions energy: -677.458 where: short stacking energy: -326.143 Base-Backbone interact. energy: -4.970 local terms energy: -465.404481 where: bonds (distance) C4'-P energy: -113.532 bonds (distance) P-C4' energy: -88.163 flat angles C4'-P-C4' energy: -113.845 flat angles P-C4'-P energy: -76.744 tors. eta vs tors. theta energy: -73.120 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: 1 ===================================== Write number: 165 Temperature: 1.250000 Total energy: -899.261898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -899.261898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -899.261898 (E_RNA) where: Base-Base interactions energy: -482.676 where: short stacking energy: -239.399 Base-Backbone interact. energy: -3.598 local terms energy: -412.988427 where: bonds (distance) C4'-P energy: -112.029 bonds (distance) P-C4' energy: -131.495 flat angles C4'-P-C4' energy: -104.379 flat angles P-C4'-P energy: -46.987 tors. eta vs tors. theta energy: -18.098 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 165 Temperature: 1.300000 Total energy: -735.907219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -735.907219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -735.907219 (E_RNA) where: Base-Base interactions energy: -353.302 where: short stacking energy: -169.706 Base-Backbone interact. energy: -0.749 local terms energy: -381.855683 where: bonds (distance) C4'-P energy: -112.631 bonds (distance) P-C4' energy: -106.739 flat angles C4'-P-C4' energy: -108.958 flat angles P-C4'-P energy: -48.709 tors. eta vs tors. theta energy: -4.819 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 165 Temperature: 1.350000 Total energy: -496.950482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -496.950482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -496.950482 (E_RNA) where: Base-Base interactions energy: -158.683 where: short stacking energy: -110.536 Base-Backbone interact. energy: -3.483 local terms energy: -334.784207 where: bonds (distance) C4'-P energy: -99.298 bonds (distance) P-C4' energy: -111.270 flat angles C4'-P-C4' energy: -79.234 flat angles P-C4'-P energy: -69.614 tors. eta vs tors. theta energy: 24.633 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 166 Temperature: 0.900000 Total energy: -2176.411215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2176.411215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2176.411215 (E_RNA) where: Base-Base interactions energy: -1489.249 where: short stacking energy: -609.136 Base-Backbone interact. energy: -3.392 local terms energy: -683.770731 where: bonds (distance) C4'-P energy: -132.207 bonds (distance) P-C4' energy: -122.609 flat angles C4'-P-C4' energy: -149.341 flat angles P-C4'-P energy: -89.326 tors. eta vs tors. theta energy: -190.288 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 166 Temperature: 0.950000 Total energy: -2124.408647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2124.408647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2124.408647 (E_RNA) where: Base-Base interactions energy: -1433.772 where: short stacking energy: -611.478 Base-Backbone interact. energy: -2.588 local terms energy: -688.048534 where: bonds (distance) C4'-P energy: -112.517 bonds (distance) P-C4' energy: -135.746 flat angles C4'-P-C4' energy: -143.150 flat angles P-C4'-P energy: -101.948 tors. eta vs tors. theta energy: -194.687 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 166 Temperature: 1.000000 Total energy: -2001.009818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2001.009818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2001.009818 (E_RNA) where: Base-Base interactions energy: -1337.779 where: short stacking energy: -585.998 Base-Backbone interact. energy: 0.735 local terms energy: -663.965822 where: bonds (distance) C4'-P energy: -118.697 bonds (distance) P-C4' energy: -121.423 flat angles C4'-P-C4' energy: -151.791 flat angles P-C4'-P energy: -92.310 tors. eta vs tors. theta energy: -179.746 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 166 Temperature: 1.050000 Total energy: -1894.644509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1894.644509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1894.644509 (E_RNA) where: Base-Base interactions energy: -1248.404 where: short stacking energy: -549.916 Base-Backbone interact. energy: -0.226 local terms energy: -646.014722 where: bonds (distance) C4'-P energy: -114.077 bonds (distance) P-C4' energy: -126.880 flat angles C4'-P-C4' energy: -144.292 flat angles P-C4'-P energy: -81.962 tors. eta vs tors. theta energy: -178.804 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: 8 ===================================== Write number: 166 Temperature: 1.100000 Total energy: -1752.097960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1752.097960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1752.097960 (E_RNA) where: Base-Base interactions energy: -1189.960 where: short stacking energy: -483.672 Base-Backbone interact. energy: -0.461 local terms energy: -561.676067 where: bonds (distance) C4'-P energy: -103.162 bonds (distance) P-C4' energy: -129.366 flat angles C4'-P-C4' energy: -122.781 flat angles P-C4'-P energy: -69.976 tors. eta vs tors. theta energy: -136.391 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: 7 ===================================== Write number: 166 Temperature: 1.150000 Total energy: -1395.783953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1395.783953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1395.783953 (E_RNA) where: Base-Base interactions energy: -885.763 where: short stacking energy: -367.562 Base-Backbone interact. energy: 2.082 local terms energy: -512.103611 where: bonds (distance) C4'-P energy: -128.313 bonds (distance) P-C4' energy: -129.941 flat angles C4'-P-C4' energy: -104.474 flat angles P-C4'-P energy: -60.397 tors. eta vs tors. theta energy: -88.978 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 166 Temperature: 1.200000 Total energy: -1089.621057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1089.621057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1089.621057 (E_RNA) where: Base-Base interactions energy: -622.940 where: short stacking energy: -296.293 Base-Backbone interact. energy: -1.989 local terms energy: -464.691621 where: bonds (distance) C4'-P energy: -108.697 bonds (distance) P-C4' energy: -117.103 flat angles C4'-P-C4' energy: -98.689 flat angles P-C4'-P energy: -63.742 tors. eta vs tors. theta energy: -76.461 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 166 Temperature: 1.250000 Total energy: -857.691852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -857.691852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -857.691852 (E_RNA) where: Base-Base interactions energy: -470.831 where: short stacking energy: -240.648 Base-Backbone interact. energy: 6.329 local terms energy: -393.190238 where: bonds (distance) C4'-P energy: -109.912 bonds (distance) P-C4' energy: -109.569 flat angles C4'-P-C4' energy: -79.459 flat angles P-C4'-P energy: -64.901 tors. eta vs tors. theta energy: -29.350 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 166 Temperature: 1.300000 Total energy: -682.461423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -682.461423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -682.461423 (E_RNA) where: Base-Base interactions energy: -299.102 where: short stacking energy: -166.430 Base-Backbone interact. energy: -1.143 local terms energy: -382.216914 where: bonds (distance) C4'-P energy: -118.602 bonds (distance) P-C4' energy: -108.812 flat angles C4'-P-C4' energy: -102.817 flat angles P-C4'-P energy: -56.119 tors. eta vs tors. theta energy: 4.133 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: 10, replica: 9 ===================================== Write number: 166 Temperature: 1.350000 Total energy: -485.919613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -485.919613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -485.919613 (E_RNA) where: Base-Base interactions energy: -182.817 where: short stacking energy: -115.734 Base-Backbone interact. energy: 6.163 local terms energy: -309.265887 where: bonds (distance) C4'-P energy: -104.708 bonds (distance) P-C4' energy: -92.527 flat angles C4'-P-C4' energy: -77.265 flat angles P-C4'-P energy: -53.639 tors. eta vs tors. theta energy: 18.872 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: 167 Temperature: 0.900000 Total energy: -2189.826848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2189.826848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2189.826848 (E_RNA) where: Base-Base interactions energy: -1490.214 where: short stacking energy: -610.831 Base-Backbone interact. energy: -1.418 local terms energy: -698.194700 where: bonds (distance) C4'-P energy: -125.435 bonds (distance) P-C4' energy: -122.100 flat angles C4'-P-C4' energy: -156.507 flat angles P-C4'-P energy: -94.979 tors. eta vs tors. theta energy: -199.173 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: 2, replica: 5 ===================================== Write number: 167 Temperature: 0.950000 Total energy: -2133.811153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2133.811153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2133.811153 (E_RNA) where: Base-Base interactions energy: -1415.701 where: short stacking energy: -630.889 Base-Backbone interact. energy: -0.053 local terms energy: -718.057358 where: bonds (distance) C4'-P energy: -128.950 bonds (distance) P-C4' energy: -146.309 flat angles C4'-P-C4' energy: -156.453 flat angles P-C4'-P energy: -90.193 tors. eta vs tors. theta energy: -196.152 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 167 Temperature: 1.000000 Total energy: -2075.819737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2075.819737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2075.819737 (E_RNA) where: Base-Base interactions energy: -1399.638 where: short stacking energy: -589.037 Base-Backbone interact. energy: -5.161 local terms energy: -671.020829 where: bonds (distance) C4'-P energy: -112.630 bonds (distance) P-C4' energy: -129.623 flat angles C4'-P-C4' energy: -153.158 flat angles P-C4'-P energy: -96.845 tors. eta vs tors. theta energy: -178.765 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: 4, replica: 2 ===================================== Write number: 167 Temperature: 1.050000 Total energy: -1917.667851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1917.667851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1917.667851 (E_RNA) where: Base-Base interactions energy: -1284.055 where: short stacking energy: -559.656 Base-Backbone interact. energy: -1.456 local terms energy: -632.156557 where: bonds (distance) C4'-P energy: -109.029 bonds (distance) P-C4' energy: -125.856 flat angles C4'-P-C4' energy: -123.880 flat angles P-C4'-P energy: -88.091 tors. eta vs tors. theta energy: -185.301 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 167 Temperature: 1.100000 Total energy: -1802.620382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1802.620382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1802.620382 (E_RNA) where: Base-Base interactions energy: -1223.170 where: short stacking energy: -516.957 Base-Backbone interact. energy: 9.871 local terms energy: -589.321323 where: bonds (distance) C4'-P energy: -111.116 bonds (distance) P-C4' energy: -110.580 flat angles C4'-P-C4' energy: -131.786 flat angles P-C4'-P energy: -91.174 tors. eta vs tors. theta energy: -144.665 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: 7 ===================================== Write number: 167 Temperature: 1.150000 Total energy: -1461.586567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1461.586567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1461.586567 (E_RNA) where: Base-Base interactions energy: -923.897 where: short stacking energy: -400.565 Base-Backbone interact. energy: -3.212 local terms energy: -534.477653 where: bonds (distance) C4'-P energy: -109.978 bonds (distance) P-C4' energy: -124.612 flat angles C4'-P-C4' energy: -116.002 flat angles P-C4'-P energy: -87.266 tors. eta vs tors. theta energy: -96.619 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 167 Temperature: 1.200000 Total energy: -1017.309281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1017.309281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1017.309281 (E_RNA) where: Base-Base interactions energy: -547.733 where: short stacking energy: -276.584 Base-Backbone interact. energy: 2.261 local terms energy: -471.837295 where: bonds (distance) C4'-P energy: -108.214 bonds (distance) P-C4' energy: -136.854 flat angles C4'-P-C4' energy: -113.685 flat angles P-C4'-P energy: -68.909 tors. eta vs tors. theta energy: -44.175 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 167 Temperature: 1.250000 Total energy: -916.997557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -916.997557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -916.997557 (E_RNA) where: Base-Base interactions energy: -510.799 where: short stacking energy: -252.668 Base-Backbone interact. energy: -3.132 local terms energy: -403.962463 where: bonds (distance) C4'-P energy: -104.577 bonds (distance) P-C4' energy: -96.090 flat angles C4'-P-C4' energy: -103.482 flat angles P-C4'-P energy: -71.298 tors. eta vs tors. theta energy: -28.516 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.896 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 167 Temperature: 1.300000 Total energy: -655.195266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -655.195266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -655.195266 (E_RNA) where: Base-Base interactions energy: -279.783 where: short stacking energy: -182.850 Base-Backbone interact. energy: 0.738 local terms energy: -376.150070 where: bonds (distance) C4'-P energy: -117.193 bonds (distance) P-C4' energy: -108.628 flat angles C4'-P-C4' energy: -92.959 flat angles P-C4'-P energy: -60.563 tors. eta vs tors. theta energy: 3.192 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: 9 ===================================== Write number: 167 Temperature: 1.350000 Total energy: -494.113440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -494.113440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -494.113440 (E_RNA) where: Base-Base interactions energy: -169.263 where: short stacking energy: -137.025 Base-Backbone interact. energy: -0.584 local terms energy: -324.265904 where: bonds (distance) C4'-P energy: -82.156 bonds (distance) P-C4' energy: -122.402 flat angles C4'-P-C4' energy: -83.969 flat angles P-C4'-P energy: -52.171 tors. eta vs tors. theta energy: 16.432 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: 10 ===================================== Write number: 168 Temperature: 0.900000 Total energy: -2232.590732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2232.590732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2232.590732 (E_RNA) where: Base-Base interactions energy: -1515.182 where: short stacking energy: -624.711 Base-Backbone interact. energy: -2.124 local terms energy: -715.284180 where: bonds (distance) C4'-P energy: -127.272 bonds (distance) P-C4' energy: -149.362 flat angles C4'-P-C4' energy: -144.679 flat angles P-C4'-P energy: -109.267 tors. eta vs tors. theta energy: -184.705 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: 5 ===================================== Write number: 168 Temperature: 0.950000 Total energy: -2121.811889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2121.811889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2121.811889 (E_RNA) where: Base-Base interactions energy: -1406.389 where: short stacking energy: -618.101 Base-Backbone interact. energy: -4.310 local terms energy: -711.112878 where: bonds (distance) C4'-P energy: -123.272 bonds (distance) P-C4' energy: -144.398 flat angles C4'-P-C4' energy: -152.654 flat angles P-C4'-P energy: -99.466 tors. eta vs tors. theta energy: -191.324 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: 6 ===================================== Write number: 168 Temperature: 1.000000 Total energy: -2030.653749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2030.653749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2030.653749 (E_RNA) where: Base-Base interactions energy: -1396.051 where: short stacking energy: -591.705 Base-Backbone interact. energy: -3.043 local terms energy: -631.559763 where: bonds (distance) C4'-P energy: -109.737 bonds (distance) P-C4' energy: -121.327 flat angles C4'-P-C4' energy: -135.531 flat angles P-C4'-P energy: -82.463 tors. eta vs tors. theta energy: -182.502 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 168 Temperature: 1.050000 Total energy: -1917.832395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1917.832395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1917.832395 (E_RNA) where: Base-Base interactions energy: -1267.290 where: short stacking energy: -557.618 Base-Backbone interact. energy: 0.323 local terms energy: -650.864628 where: bonds (distance) C4'-P energy: -115.498 bonds (distance) P-C4' energy: -126.270 flat angles C4'-P-C4' energy: -147.696 flat angles P-C4'-P energy: -76.708 tors. eta vs tors. theta energy: -184.692 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 168 Temperature: 1.100000 Total energy: -1746.251110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1746.251110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1746.251110 (E_RNA) where: Base-Base interactions energy: -1139.903 where: short stacking energy: -490.897 Base-Backbone interact. energy: -0.293 local terms energy: -606.055133 where: bonds (distance) C4'-P energy: -109.801 bonds (distance) P-C4' energy: -117.558 flat angles C4'-P-C4' energy: -137.741 flat angles P-C4'-P energy: -89.737 tors. eta vs tors. theta energy: -151.218 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: 7 ===================================== Write number: 168 Temperature: 1.150000 Total energy: -1406.324214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1406.324214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1406.324214 (E_RNA) where: Base-Base interactions energy: -898.882 where: short stacking energy: -398.999 Base-Backbone interact. energy: -0.206 local terms energy: -507.235881 where: bonds (distance) C4'-P energy: -108.456 bonds (distance) P-C4' energy: -110.480 flat angles C4'-P-C4' energy: -108.440 flat angles P-C4'-P energy: -84.398 tors. eta vs tors. theta energy: -95.463 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: 4 ===================================== Write number: 168 Temperature: 1.200000 Total energy: -1077.331474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1077.331474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1077.331474 (E_RNA) where: Base-Base interactions energy: -618.731 where: short stacking energy: -298.701 Base-Backbone interact. energy: -1.324 local terms energy: -457.275697 where: bonds (distance) C4'-P energy: -110.418 bonds (distance) P-C4' energy: -118.657 flat angles C4'-P-C4' energy: -114.147 flat angles P-C4'-P energy: -59.301 tors. eta vs tors. theta energy: -54.753 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 168 Temperature: 1.250000 Total energy: -826.502675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -826.502675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -826.502675 (E_RNA) where: Base-Base interactions energy: -398.719 where: short stacking energy: -223.021 Base-Backbone interact. energy: 0.246 local terms energy: -428.029863 where: bonds (distance) C4'-P energy: -116.970 bonds (distance) P-C4' energy: -125.758 flat angles C4'-P-C4' energy: -93.824 flat angles P-C4'-P energy: -60.549 tors. eta vs tors. theta energy: -30.930 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: 9, replica: 3 ===================================== Write number: 168 Temperature: 1.300000 Total energy: -604.320813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -604.320813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -604.320813 (E_RNA) where: Base-Base interactions energy: -248.272 where: short stacking energy: -145.853 Base-Backbone interact. energy: -0.526 local terms energy: -355.522679 where: bonds (distance) C4'-P energy: -97.728 bonds (distance) P-C4' energy: -133.867 flat angles C4'-P-C4' energy: -84.064 flat angles P-C4'-P energy: -45.723 tors. eta vs tors. theta energy: 5.859 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: 9 ===================================== Write number: 168 Temperature: 1.350000 Total energy: -525.772508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -525.772508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -525.772508 (E_RNA) where: Base-Base interactions energy: -157.262 where: short stacking energy: -94.016 Base-Backbone interact. energy: 2.622 local terms energy: -371.132834 where: bonds (distance) C4'-P energy: -117.479 bonds (distance) P-C4' energy: -128.697 flat angles C4'-P-C4' energy: -98.785 flat angles P-C4'-P energy: -59.028 tors. eta vs tors. theta energy: 32.857 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: 10 ===================================== Write number: 169 Temperature: 0.900000 Total energy: -2232.684513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2232.684513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2232.684513 (E_RNA) where: Base-Base interactions energy: -1516.832 where: short stacking energy: -596.228 Base-Backbone interact. energy: -2.572 local terms energy: -713.279693 where: bonds (distance) C4'-P energy: -134.097 bonds (distance) P-C4' energy: -137.326 flat angles C4'-P-C4' energy: -153.761 flat angles P-C4'-P energy: -99.973 tors. eta vs tors. theta energy: -188.122 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: 6 ===================================== Write number: 169 Temperature: 0.950000 Total energy: -2076.879106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2076.879106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2076.879106 (E_RNA) where: Base-Base interactions energy: -1410.151 where: short stacking energy: -589.953 Base-Backbone interact. energy: -2.682 local terms energy: -664.046534 where: bonds (distance) C4'-P energy: -121.679 bonds (distance) P-C4' energy: -112.017 flat angles C4'-P-C4' energy: -148.293 flat angles P-C4'-P energy: -98.839 tors. eta vs tors. theta energy: -183.219 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: 3, replica: 5 ===================================== Write number: 169 Temperature: 1.000000 Total energy: -2076.905966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2076.905966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2076.905966 (E_RNA) where: Base-Base interactions energy: -1419.164 where: short stacking energy: -603.756 Base-Backbone interact. energy: -1.258 local terms energy: -656.483914 where: bonds (distance) C4'-P energy: -123.454 bonds (distance) P-C4' energy: -111.115 flat angles C4'-P-C4' energy: -142.172 flat angles P-C4'-P energy: -88.293 tors. eta vs tors. theta energy: -191.451 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: 2 ===================================== Write number: 169 Temperature: 1.050000 Total energy: -1918.116370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1918.116370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1918.116370 (E_RNA) where: Base-Base interactions energy: -1263.178 where: short stacking energy: -553.591 Base-Backbone interact. energy: -2.904 local terms energy: -652.034030 where: bonds (distance) C4'-P energy: -122.301 bonds (distance) P-C4' energy: -137.504 flat angles C4'-P-C4' energy: -142.838 flat angles P-C4'-P energy: -82.778 tors. eta vs tors. theta energy: -166.614 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: 5, replica: 8 ===================================== Write number: 169 Temperature: 1.100000 Total energy: -1745.757820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1745.757820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1745.757820 (E_RNA) where: Base-Base interactions energy: -1157.481 where: short stacking energy: -474.562 Base-Backbone interact. energy: 4.011 local terms energy: -592.287570 where: bonds (distance) C4'-P energy: -130.442 bonds (distance) P-C4' energy: -118.529 flat angles C4'-P-C4' energy: -122.938 flat angles P-C4'-P energy: -91.774 tors. eta vs tors. theta energy: -128.604 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 169 Temperature: 1.150000 Total energy: -1420.465852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1420.465852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1420.465852 (E_RNA) where: Base-Base interactions energy: -895.591 where: short stacking energy: -392.836 Base-Backbone interact. energy: 1.872 local terms energy: -526.747013 where: bonds (distance) C4'-P energy: -109.679 bonds (distance) P-C4' energy: -106.041 flat angles C4'-P-C4' energy: -129.096 flat angles P-C4'-P energy: -74.373 tors. eta vs tors. theta energy: -107.558 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: 4 ===================================== Write number: 169 Temperature: 1.200000 Total energy: -1021.097376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1021.097376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1021.097376 (E_RNA) where: Base-Base interactions energy: -579.519 where: short stacking energy: -307.505 Base-Backbone interact. energy: 0.651 local terms energy: -442.229507 where: bonds (distance) C4'-P energy: -105.035 bonds (distance) P-C4' energy: -114.049 flat angles C4'-P-C4' energy: -111.242 flat angles P-C4'-P energy: -56.455 tors. eta vs tors. theta energy: -55.447 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 169 Temperature: 1.250000 Total energy: -819.006054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -819.006054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -819.006054 (E_RNA) where: Base-Base interactions energy: -437.508 where: short stacking energy: -229.261 Base-Backbone interact. energy: 0.028 local terms energy: -381.526266 where: bonds (distance) C4'-P energy: -96.449 bonds (distance) P-C4' energy: -106.412 flat angles C4'-P-C4' energy: -100.850 flat angles P-C4'-P energy: -69.046 tors. eta vs tors. theta energy: -8.769 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: 3 ===================================== Write number: 169 Temperature: 1.300000 Total energy: -625.348143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -625.348143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -625.348143 (E_RNA) where: Base-Base interactions energy: -248.525 where: short stacking energy: -157.831 Base-Backbone interact. energy: 3.021 local terms energy: -379.843450 where: bonds (distance) C4'-P energy: -120.863 bonds (distance) P-C4' energy: -115.273 flat angles C4'-P-C4' energy: -95.247 flat angles P-C4'-P energy: -58.947 tors. eta vs tors. theta energy: 10.487 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 169 Temperature: 1.350000 Total energy: -527.072364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -527.072364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -527.072364 (E_RNA) where: Base-Base interactions energy: -200.084 where: short stacking energy: -127.782 Base-Backbone interact. energy: 0.432 local terms energy: -327.420499 where: bonds (distance) C4'-P energy: -110.889 bonds (distance) P-C4' energy: -116.858 flat angles C4'-P-C4' energy: -81.167 flat angles P-C4'-P energy: -50.184 tors. eta vs tors. theta energy: 31.678 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 170 Temperature: 0.900000 Total energy: -2210.170185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2210.170185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2210.170185 (E_RNA) where: Base-Base interactions energy: -1510.297 where: short stacking energy: -604.184 Base-Backbone interact. energy: -3.177 local terms energy: -696.696715 where: bonds (distance) C4'-P energy: -140.230 bonds (distance) P-C4' energy: -131.353 flat angles C4'-P-C4' energy: -142.474 flat angles P-C4'-P energy: -99.919 tors. eta vs tors. theta energy: -182.721 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 170 Temperature: 0.950000 Total energy: -2079.843465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2079.843465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2079.843465 (E_RNA) where: Base-Base interactions energy: -1422.554 where: short stacking energy: -587.984 Base-Backbone interact. energy: 1.944 local terms energy: -659.233916 where: bonds (distance) C4'-P energy: -134.920 bonds (distance) P-C4' energy: -136.056 flat angles C4'-P-C4' energy: -143.923 flat angles P-C4'-P energy: -78.455 tors. eta vs tors. theta energy: -165.880 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 170 Temperature: 1.000000 Total energy: -2047.887370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2047.887370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2047.887370 (E_RNA) where: Base-Base interactions energy: -1370.188 where: short stacking energy: -588.730 Base-Backbone interact. energy: -3.506 local terms energy: -674.192645 where: bonds (distance) C4'-P energy: -109.584 bonds (distance) P-C4' energy: -118.104 flat angles C4'-P-C4' energy: -150.724 flat angles P-C4'-P energy: -102.323 tors. eta vs tors. theta energy: -193.456 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: 2 ===================================== Write number: 170 Temperature: 1.050000 Total energy: -1931.307322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1931.307322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1931.307322 (E_RNA) where: Base-Base interactions energy: -1284.364 where: short stacking energy: -533.054 Base-Backbone interact. energy: -3.164 local terms energy: -643.780208 where: bonds (distance) C4'-P energy: -133.773 bonds (distance) P-C4' energy: -130.089 flat angles C4'-P-C4' energy: -136.734 flat angles P-C4'-P energy: -76.235 tors. eta vs tors. theta energy: -166.949 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 170 Temperature: 1.100000 Total energy: -1750.590973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1750.590973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1750.590973 (E_RNA) where: Base-Base interactions energy: -1188.348 where: short stacking energy: -500.658 Base-Backbone interact. energy: 7.792 local terms energy: -570.035113 where: bonds (distance) C4'-P energy: -110.902 bonds (distance) P-C4' energy: -122.890 flat angles C4'-P-C4' energy: -112.848 flat angles P-C4'-P energy: -84.925 tors. eta vs tors. theta energy: -138.470 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 170 Temperature: 1.150000 Total energy: -1489.735342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1489.735342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1489.735342 (E_RNA) where: Base-Base interactions energy: -952.745 where: short stacking energy: -447.770 Base-Backbone interact. energy: -2.093 local terms energy: -534.897125 where: bonds (distance) C4'-P energy: -109.407 bonds (distance) P-C4' energy: -114.061 flat angles C4'-P-C4' energy: -120.752 flat angles P-C4'-P energy: -73.521 tors. eta vs tors. theta energy: -117.156 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 170 Temperature: 1.200000 Total energy: -909.738107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -909.738107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -909.738107 (E_RNA) where: Base-Base interactions energy: -481.455 where: short stacking energy: -245.639 Base-Backbone interact. energy: 0.126 local terms energy: -428.409182 where: bonds (distance) C4'-P energy: -102.245 bonds (distance) P-C4' energy: -109.428 flat angles C4'-P-C4' energy: -120.325 flat angles P-C4'-P energy: -62.989 tors. eta vs tors. theta energy: -33.421 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 170 Temperature: 1.250000 Total energy: -795.428171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -795.428171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -795.428171 (E_RNA) where: Base-Base interactions energy: -393.419 where: short stacking energy: -210.519 Base-Backbone interact. energy: 0.447 local terms energy: -402.455844 where: bonds (distance) C4'-P energy: -119.963 bonds (distance) P-C4' energy: -107.968 flat angles C4'-P-C4' energy: -118.204 flat angles P-C4'-P energy: -49.622 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: 9, replica: 3 ===================================== Write number: 170 Temperature: 1.300000 Total energy: -653.268230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -653.268230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -653.268230 (E_RNA) where: Base-Base interactions energy: -272.551 where: short stacking energy: -167.003 Base-Backbone interact. energy: 2.417 local terms energy: -383.134690 where: bonds (distance) C4'-P energy: -105.424 bonds (distance) P-C4' energy: -130.642 flat angles C4'-P-C4' energy: -95.670 flat angles P-C4'-P energy: -62.555 tors. eta vs tors. theta energy: 11.156 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 170 Temperature: 1.350000 Total energy: -487.577340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -487.577340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -487.577340 (E_RNA) where: Base-Base interactions energy: -153.405 where: short stacking energy: -117.204 Base-Backbone interact. energy: -0.951 local terms energy: -333.221188 where: bonds (distance) C4'-P energy: -106.285 bonds (distance) P-C4' energy: -98.073 flat angles C4'-P-C4' energy: -110.987 flat angles P-C4'-P energy: -51.318 tors. eta vs tors. theta energy: 33.442 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 171 Temperature: 0.900000 Total energy: -2237.320196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2237.320196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2237.320196 (E_RNA) where: Base-Base interactions energy: -1549.879 where: short stacking energy: -634.196 Base-Backbone interact. energy: -4.392 local terms energy: -683.049189 where: bonds (distance) C4'-P energy: -130.358 bonds (distance) P-C4' energy: -126.711 flat angles C4'-P-C4' energy: -148.813 flat angles P-C4'-P energy: -87.947 tors. eta vs tors. theta energy: -189.221 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 171 Temperature: 0.950000 Total energy: -2081.503601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2081.503601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2081.503601 (E_RNA) where: Base-Base interactions energy: -1401.440 where: short stacking energy: -574.272 Base-Backbone interact. energy: -0.834 local terms energy: -679.230131 where: bonds (distance) C4'-P energy: -124.612 bonds (distance) P-C4' energy: -151.672 flat angles C4'-P-C4' energy: -136.792 flat angles P-C4'-P energy: -93.567 tors. eta vs tors. theta energy: -172.587 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 171 Temperature: 1.000000 Total energy: -2039.945131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2039.945131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2039.945131 (E_RNA) where: Base-Base interactions energy: -1365.346 where: short stacking energy: -576.927 Base-Backbone interact. energy: 0.887 local terms energy: -675.486996 where: bonds (distance) C4'-P energy: -130.261 bonds (distance) P-C4' energy: -136.615 flat angles C4'-P-C4' energy: -131.384 flat angles P-C4'-P energy: -94.859 tors. eta vs tors. theta energy: -182.369 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: 2 ===================================== Write number: 171 Temperature: 1.050000 Total energy: -1973.346368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1973.346368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1973.346368 (E_RNA) where: Base-Base interactions energy: -1313.281 where: short stacking energy: -539.601 Base-Backbone interact. energy: -3.813 local terms energy: -656.252649 where: bonds (distance) C4'-P energy: -114.324 bonds (distance) P-C4' energy: -124.002 flat angles C4'-P-C4' energy: -143.394 flat angles P-C4'-P energy: -94.504 tors. eta vs tors. theta energy: -180.029 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: 171 Temperature: 1.100000 Total energy: -1816.902933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1816.902933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1816.902933 (E_RNA) where: Base-Base interactions energy: -1182.564 where: short stacking energy: -486.479 Base-Backbone interact. energy: 1.825 local terms energy: -636.163532 where: bonds (distance) C4'-P energy: -108.734 bonds (distance) P-C4' energy: -142.463 flat angles C4'-P-C4' energy: -138.225 flat angles P-C4'-P energy: -87.292 tors. eta vs tors. theta energy: -159.449 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: 7 ===================================== Write number: 171 Temperature: 1.150000 Total energy: -1408.113932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1408.113932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1408.113932 (E_RNA) where: Base-Base interactions energy: -884.883 where: short stacking energy: -410.532 Base-Backbone interact. energy: 0.743 local terms energy: -523.974312 where: bonds (distance) C4'-P energy: -101.615 bonds (distance) P-C4' energy: -115.546 flat angles C4'-P-C4' energy: -127.493 flat angles P-C4'-P energy: -79.997 tors. eta vs tors. theta energy: -99.324 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 171 Temperature: 1.200000 Total energy: -920.216081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -920.216081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -920.216081 (E_RNA) where: Base-Base interactions energy: -515.007 where: short stacking energy: -276.105 Base-Backbone interact. energy: -0.833 local terms energy: -404.376429 where: bonds (distance) C4'-P energy: -93.043 bonds (distance) P-C4' energy: -94.431 flat angles C4'-P-C4' energy: -117.219 flat angles P-C4'-P energy: -74.670 tors. eta vs tors. theta energy: -25.014 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 171 Temperature: 1.250000 Total energy: -797.381580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -797.381580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -797.381580 (E_RNA) where: Base-Base interactions energy: -388.343 where: short stacking energy: -216.217 Base-Backbone interact. energy: -1.539 local terms energy: -407.499284 where: bonds (distance) C4'-P energy: -116.994 bonds (distance) P-C4' energy: -117.056 flat angles C4'-P-C4' energy: -103.358 flat angles P-C4'-P energy: -61.735 tors. eta vs tors. theta energy: -8.356 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 171 Temperature: 1.300000 Total energy: -650.668897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.668897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -650.668897 (E_RNA) where: Base-Base interactions energy: -276.073 where: short stacking energy: -160.923 Base-Backbone interact. energy: 2.320 local terms energy: -376.915695 where: bonds (distance) C4'-P energy: -101.138 bonds (distance) P-C4' energy: -131.419 flat angles C4'-P-C4' energy: -97.857 flat angles P-C4'-P energy: -45.400 tors. eta vs tors. theta energy: -1.102 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 171 Temperature: 1.350000 Total energy: -482.029520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -482.029520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -482.029520 (E_RNA) where: Base-Base interactions energy: -139.421 where: short stacking energy: -112.842 Base-Backbone interact. energy: 2.289 local terms energy: -344.897183 where: bonds (distance) C4'-P energy: -112.057 bonds (distance) P-C4' energy: -129.056 flat angles C4'-P-C4' energy: -81.182 flat angles P-C4'-P energy: -65.876 tors. eta vs tors. theta energy: 43.273 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: 1, replica: 10 ===================================== Write number: 172 Temperature: 0.900000 Total energy: -2219.132454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2219.132454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2219.132454 (E_RNA) where: Base-Base interactions energy: -1533.968 where: short stacking energy: -631.549 Base-Backbone interact. energy: -1.770 local terms energy: -683.394149 where: bonds (distance) C4'-P energy: -127.048 bonds (distance) P-C4' energy: -123.159 flat angles C4'-P-C4' energy: -154.064 flat angles P-C4'-P energy: -89.779 tors. eta vs tors. theta energy: -189.345 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 172 Temperature: 0.950000 Total energy: -2104.005991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2104.005991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2104.005991 (E_RNA) where: Base-Base interactions energy: -1427.484 where: short stacking energy: -581.306 Base-Backbone interact. energy: -1.779 local terms energy: -674.743042 where: bonds (distance) C4'-P energy: -122.829 bonds (distance) P-C4' energy: -137.056 flat angles C4'-P-C4' energy: -148.859 flat angles P-C4'-P energy: -92.999 tors. eta vs tors. theta energy: -173.000 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: 5 ===================================== Write number: 172 Temperature: 1.000000 Total energy: -2051.395017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2051.395017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2051.395017 (E_RNA) where: Base-Base interactions energy: -1368.980 where: short stacking energy: -588.451 Base-Backbone interact. energy: 3.284 local terms energy: -685.698785 where: bonds (distance) C4'-P energy: -135.230 bonds (distance) P-C4' energy: -125.451 flat angles C4'-P-C4' energy: -143.786 flat angles P-C4'-P energy: -102.968 tors. eta vs tors. theta energy: -178.264 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: 2 ===================================== Write number: 172 Temperature: 1.050000 Total energy: -1907.508294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1907.508294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1907.508294 (E_RNA) where: Base-Base interactions energy: -1286.682 where: short stacking energy: -552.211 Base-Backbone interact. energy: -3.060 local terms energy: -617.766510 where: bonds (distance) C4'-P energy: -112.130 bonds (distance) P-C4' energy: -119.920 flat angles C4'-P-C4' energy: -132.397 flat angles P-C4'-P energy: -81.141 tors. eta vs tors. theta energy: -172.178 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 172 Temperature: 1.100000 Total energy: -1776.578538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1776.578538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1776.578538 (E_RNA) where: Base-Base interactions energy: -1180.069 where: short stacking energy: -495.207 Base-Backbone interact. energy: -1.491 local terms energy: -595.018691 where: bonds (distance) C4'-P energy: -111.800 bonds (distance) P-C4' energy: -122.395 flat angles C4'-P-C4' energy: -129.279 flat angles P-C4'-P energy: -74.088 tors. eta vs tors. theta energy: -157.455 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 172 Temperature: 1.150000 Total energy: -1388.085895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1388.085895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1388.085895 (E_RNA) where: Base-Base interactions energy: -845.410 where: short stacking energy: -377.919 Base-Backbone interact. energy: -5.884 local terms energy: -536.792346 where: bonds (distance) C4'-P energy: -118.968 bonds (distance) P-C4' energy: -112.626 flat angles C4'-P-C4' energy: -131.947 flat angles P-C4'-P energy: -73.154 tors. eta vs tors. theta energy: -100.098 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 172 Temperature: 1.200000 Total energy: -958.288030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -958.288030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -958.288030 (E_RNA) where: Base-Base interactions energy: -532.659 where: short stacking energy: -254.572 Base-Backbone interact. energy: 3.033 local terms energy: -428.662144 where: bonds (distance) C4'-P energy: -120.452 bonds (distance) P-C4' energy: -115.897 flat angles C4'-P-C4' energy: -94.569 flat angles P-C4'-P energy: -69.921 tors. eta vs tors. theta energy: -27.823 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: 4 ===================================== Write number: 172 Temperature: 1.250000 Total energy: -748.577900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -748.577900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -748.577900 (E_RNA) where: Base-Base interactions energy: -334.314 where: short stacking energy: -209.384 Base-Backbone interact. energy: 0.728 local terms energy: -414.992244 where: bonds (distance) C4'-P energy: -97.111 bonds (distance) P-C4' energy: -136.188 flat angles C4'-P-C4' energy: -104.547 flat angles P-C4'-P energy: -71.300 tors. eta vs tors. theta energy: -5.846 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 172 Temperature: 1.300000 Total energy: -599.681605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -599.681605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -599.681605 (E_RNA) where: Base-Base interactions energy: -251.546 where: short stacking energy: -157.974 Base-Backbone interact. energy: -3.282 local terms energy: -344.854176 where: bonds (distance) C4'-P energy: -120.295 bonds (distance) P-C4' energy: -110.799 flat angles C4'-P-C4' energy: -77.387 flat angles P-C4'-P energy: -60.085 tors. eta vs tors. theta energy: 23.712 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 172 Temperature: 1.350000 Total energy: -469.108519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -469.108519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -469.108519 (E_RNA) where: Base-Base interactions energy: -145.738 where: short stacking energy: -112.555 Base-Backbone interact. energy: 1.516 local terms energy: -324.886639 where: bonds (distance) C4'-P energy: -110.117 bonds (distance) P-C4' energy: -112.645 flat angles C4'-P-C4' energy: -98.588 flat angles P-C4'-P energy: -47.831 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: 1, replica: 10 ===================================== Write number: 173 Temperature: 0.900000 Total energy: -2239.284459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2239.284459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2239.284459 (E_RNA) where: Base-Base interactions energy: -1540.762 where: short stacking energy: -606.869 Base-Backbone interact. energy: -0.429 local terms energy: -698.093747 where: bonds (distance) C4'-P energy: -130.606 bonds (distance) P-C4' energy: -133.454 flat angles C4'-P-C4' energy: -145.222 flat angles P-C4'-P energy: -88.763 tors. eta vs tors. theta energy: -200.048 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: 6 ===================================== Write number: 173 Temperature: 0.950000 Total energy: -2114.399726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2114.399726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2114.399726 (E_RNA) where: Base-Base interactions energy: -1435.343 where: short stacking energy: -598.296 Base-Backbone interact. energy: 0.574 local terms energy: -679.630739 where: bonds (distance) C4'-P energy: -122.808 bonds (distance) P-C4' energy: -129.855 flat angles C4'-P-C4' energy: -163.429 flat angles P-C4'-P energy: -77.584 tors. eta vs tors. theta energy: -185.954 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 173 Temperature: 1.000000 Total energy: -2073.741384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2073.741384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2073.741384 (E_RNA) where: Base-Base interactions energy: -1402.298 where: short stacking energy: -580.029 Base-Backbone interact. energy: 0.810 local terms energy: -672.254007 where: bonds (distance) C4'-P energy: -118.776 bonds (distance) P-C4' energy: -119.567 flat angles C4'-P-C4' energy: -151.008 flat angles P-C4'-P energy: -92.358 tors. eta vs tors. theta energy: -190.546 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: 2 ===================================== Write number: 173 Temperature: 1.050000 Total energy: -1960.545800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1960.545800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1960.545800 (E_RNA) where: Base-Base interactions energy: -1302.813 where: short stacking energy: -567.268 Base-Backbone interact. energy: 0.909 local terms energy: -658.642079 where: bonds (distance) C4'-P energy: -127.851 bonds (distance) P-C4' energy: -137.103 flat angles C4'-P-C4' energy: -134.781 flat angles P-C4'-P energy: -86.781 tors. eta vs tors. theta energy: -172.126 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 173 Temperature: 1.100000 Total energy: -1777.909832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1777.909832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1777.909832 (E_RNA) where: Base-Base interactions energy: -1181.156 where: short stacking energy: -493.458 Base-Backbone interact. energy: -2.878 local terms energy: -593.876050 where: bonds (distance) C4'-P energy: -103.668 bonds (distance) P-C4' energy: -117.463 flat angles C4'-P-C4' energy: -123.505 flat angles P-C4'-P energy: -93.219 tors. eta vs tors. theta energy: -156.021 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 173 Temperature: 1.150000 Total energy: -1387.517798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1387.517798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1387.517798 (E_RNA) where: Base-Base interactions energy: -847.713 where: short stacking energy: -398.736 Base-Backbone interact. energy: -1.160 local terms energy: -538.645140 where: bonds (distance) C4'-P energy: -122.782 bonds (distance) P-C4' energy: -113.277 flat angles C4'-P-C4' energy: -124.131 flat angles P-C4'-P energy: -84.024 tors. eta vs tors. theta energy: -94.432 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 173 Temperature: 1.200000 Total energy: -943.608134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -943.608134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -943.608134 (E_RNA) where: Base-Base interactions energy: -519.656 where: short stacking energy: -279.803 Base-Backbone interact. energy: -0.036 local terms energy: -423.915619 where: bonds (distance) C4'-P energy: -100.451 bonds (distance) P-C4' energy: -111.525 flat angles C4'-P-C4' energy: -99.758 flat angles P-C4'-P energy: -57.102 tors. eta vs tors. theta energy: -55.079 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: 4 ===================================== Write number: 173 Temperature: 1.250000 Total energy: -659.552321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -659.552321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -659.552321 (E_RNA) where: Base-Base interactions energy: -280.214 where: short stacking energy: -188.073 Base-Backbone interact. energy: 4.236 local terms energy: -383.574122 where: bonds (distance) C4'-P energy: -105.075 bonds (distance) P-C4' energy: -116.916 flat angles C4'-P-C4' energy: -94.033 flat angles P-C4'-P energy: -56.629 tors. eta vs tors. theta energy: -10.922 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 173 Temperature: 1.300000 Total energy: -641.761677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -641.761677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -641.761677 (E_RNA) where: Base-Base interactions energy: -242.716 where: short stacking energy: -161.619 Base-Backbone interact. energy: -0.214 local terms energy: -398.832197 where: bonds (distance) C4'-P energy: -111.131 bonds (distance) P-C4' energy: -119.388 flat angles C4'-P-C4' energy: -107.601 flat angles P-C4'-P energy: -71.161 tors. eta vs tors. theta energy: 10.449 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: 10, replica: 9 ===================================== Write number: 173 Temperature: 1.350000 Total energy: -497.851166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -497.851166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -497.851166 (E_RNA) where: Base-Base interactions energy: -184.555 where: short stacking energy: -116.070 Base-Backbone interact. energy: 6.605 local terms energy: -319.900929 where: bonds (distance) C4'-P energy: -99.077 bonds (distance) P-C4' energy: -112.716 flat angles C4'-P-C4' energy: -94.347 flat angles P-C4'-P energy: -44.820 tors. eta vs tors. theta energy: 31.059 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 174 Temperature: 0.900000 Total energy: -2229.026226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2229.026226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2229.026226 (E_RNA) where: Base-Base interactions energy: -1527.232 where: short stacking energy: -628.754 Base-Backbone interact. energy: -1.219 local terms energy: -700.575486 where: bonds (distance) C4'-P energy: -125.213 bonds (distance) P-C4' energy: -137.337 flat angles C4'-P-C4' energy: -149.071 flat angles P-C4'-P energy: -100.860 tors. eta vs tors. theta energy: -188.095 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 174 Temperature: 0.950000 Total energy: -2097.206248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2097.206248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2097.206248 (E_RNA) where: Base-Base interactions energy: -1402.204 where: short stacking energy: -597.777 Base-Backbone interact. energy: 0.065 local terms energy: -695.067184 where: bonds (distance) C4'-P energy: -128.155 bonds (distance) P-C4' energy: -132.308 flat angles C4'-P-C4' energy: -152.894 flat angles P-C4'-P energy: -94.710 tors. eta vs tors. theta energy: -187.000 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 174 Temperature: 1.000000 Total energy: -2078.892233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2078.892233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2078.892233 (E_RNA) where: Base-Base interactions energy: -1401.156 where: short stacking energy: -607.802 Base-Backbone interact. energy: -5.465 local terms energy: -672.270835 where: bonds (distance) C4'-P energy: -107.363 bonds (distance) P-C4' energy: -123.945 flat angles C4'-P-C4' energy: -142.817 flat angles P-C4'-P energy: -104.030 tors. eta vs tors. theta energy: -194.116 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 174 Temperature: 1.050000 Total energy: -1961.500738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1961.500738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1961.500738 (E_RNA) where: Base-Base interactions energy: -1301.626 where: short stacking energy: -561.129 Base-Backbone interact. energy: -1.844 local terms energy: -658.030919 where: bonds (distance) C4'-P energy: -114.416 bonds (distance) P-C4' energy: -132.483 flat angles C4'-P-C4' energy: -145.963 flat angles P-C4'-P energy: -93.512 tors. eta vs tors. theta energy: -171.658 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: 174 Temperature: 1.100000 Total energy: -1755.179580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1755.179580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1755.179580 (E_RNA) where: Base-Base interactions energy: -1163.972 where: short stacking energy: -502.483 Base-Backbone interact. energy: 3.759 local terms energy: -594.966412 where: bonds (distance) C4'-P energy: -128.122 bonds (distance) P-C4' energy: -135.921 flat angles C4'-P-C4' energy: -114.277 flat angles P-C4'-P energy: -82.964 tors. eta vs tors. theta energy: -133.684 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: 7 ===================================== Write number: 174 Temperature: 1.150000 Total energy: -1468.508312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1468.508312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1468.508312 (E_RNA) where: Base-Base interactions energy: -913.464 where: short stacking energy: -439.964 Base-Backbone interact. energy: 0.192 local terms energy: -555.236640 where: bonds (distance) C4'-P energy: -116.545 bonds (distance) P-C4' energy: -111.110 flat angles C4'-P-C4' energy: -130.406 flat angles P-C4'-P energy: -90.236 tors. eta vs tors. theta energy: -106.939 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 174 Temperature: 1.200000 Total energy: -976.271496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -976.271496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -976.271496 (E_RNA) where: Base-Base interactions energy: -542.515 where: short stacking energy: -293.420 Base-Backbone interact. energy: -1.484 local terms energy: -432.272245 where: bonds (distance) C4'-P energy: -86.952 bonds (distance) P-C4' energy: -110.525 flat angles C4'-P-C4' energy: -94.152 flat angles P-C4'-P energy: -89.512 tors. eta vs tors. theta energy: -51.131 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 174 Temperature: 1.250000 Total energy: -714.573775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -714.573775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -714.573775 (E_RNA) where: Base-Base interactions energy: -335.148 where: short stacking energy: -189.504 Base-Backbone interact. energy: -0.910 local terms energy: -378.516018 where: bonds (distance) C4'-P energy: -112.035 bonds (distance) P-C4' energy: -108.434 flat angles C4'-P-C4' energy: -112.699 flat angles P-C4'-P energy: -41.057 tors. eta vs tors. theta energy: -4.291 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 174 Temperature: 1.300000 Total energy: -628.067552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -628.067552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -628.067552 (E_RNA) where: Base-Base interactions energy: -270.120 where: short stacking energy: -173.585 Base-Backbone interact. energy: 2.831 local terms energy: -360.778272 where: bonds (distance) C4'-P energy: -96.778 bonds (distance) P-C4' energy: -123.729 flat angles C4'-P-C4' energy: -93.469 flat angles P-C4'-P energy: -55.492 tors. eta vs tors. theta energy: 8.689 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: 9 ===================================== Write number: 174 Temperature: 1.350000 Total energy: -487.848066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -487.848066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -487.848066 (E_RNA) where: Base-Base interactions energy: -146.574 where: short stacking energy: -118.302 Base-Backbone interact. energy: 2.323 local terms energy: -343.597299 where: bonds (distance) C4'-P energy: -121.702 bonds (distance) P-C4' energy: -121.506 flat angles C4'-P-C4' energy: -93.896 flat angles P-C4'-P energy: -48.067 tors. eta vs tors. theta energy: 41.574 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 175 Temperature: 0.900000 Total energy: -2254.970805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2254.970805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2254.970805 (E_RNA) where: Base-Base interactions energy: -1547.245 where: short stacking energy: -601.754 Base-Backbone interact. energy: -3.635 local terms energy: -704.091069 where: bonds (distance) C4'-P energy: -133.391 bonds (distance) P-C4' energy: -141.386 flat angles C4'-P-C4' energy: -147.071 flat angles P-C4'-P energy: -96.783 tors. eta vs tors. theta energy: -185.460 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 175 Temperature: 0.950000 Total energy: -2140.392698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2140.392698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2140.392698 (E_RNA) where: Base-Base interactions energy: -1432.228 where: short stacking energy: -586.544 Base-Backbone interact. energy: -2.206 local terms energy: -705.958233 where: bonds (distance) C4'-P energy: -131.498 bonds (distance) P-C4' energy: -134.600 flat angles C4'-P-C4' energy: -152.161 flat angles P-C4'-P energy: -94.247 tors. eta vs tors. theta energy: -193.451 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 175 Temperature: 1.000000 Total energy: -2036.564349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2036.564349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2036.564349 (E_RNA) where: Base-Base interactions energy: -1376.110 where: short stacking energy: -587.042 Base-Backbone interact. energy: -1.609 local terms energy: -658.844866 where: bonds (distance) C4'-P energy: -122.476 bonds (distance) P-C4' energy: -114.457 flat angles C4'-P-C4' energy: -133.212 flat angles P-C4'-P energy: -107.787 tors. eta vs tors. theta energy: -180.912 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 175 Temperature: 1.050000 Total energy: -1945.559095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1945.559095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1945.559095 (E_RNA) where: Base-Base interactions energy: -1301.475 where: short stacking energy: -548.643 Base-Backbone interact. energy: -1.685 local terms energy: -642.399339 where: bonds (distance) C4'-P energy: -109.675 bonds (distance) P-C4' energy: -134.426 flat angles C4'-P-C4' energy: -135.910 flat angles P-C4'-P energy: -87.205 tors. eta vs tors. theta energy: -175.184 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 175 Temperature: 1.100000 Total energy: -1730.165010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1730.165010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1730.165010 (E_RNA) where: Base-Base interactions energy: -1154.448 where: short stacking energy: -496.069 Base-Backbone interact. energy: 1.737 local terms energy: -577.454016 where: bonds (distance) C4'-P energy: -111.845 bonds (distance) P-C4' energy: -124.871 flat angles C4'-P-C4' energy: -125.105 flat angles P-C4'-P energy: -76.046 tors. eta vs tors. theta energy: -139.587 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 175 Temperature: 1.150000 Total energy: -1560.363203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1560.363203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1560.363203 (E_RNA) where: Base-Base interactions energy: -1014.488 where: short stacking energy: -432.112 Base-Backbone interact. energy: -1.098 local terms energy: -544.777474 where: bonds (distance) C4'-P energy: -113.168 bonds (distance) P-C4' energy: -105.749 flat angles C4'-P-C4' energy: -134.334 flat angles P-C4'-P energy: -68.794 tors. eta vs tors. theta energy: -122.733 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: 1 ===================================== Write number: 175 Temperature: 1.200000 Total energy: -1009.254901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1009.254901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1009.254901 (E_RNA) where: Base-Base interactions energy: -538.660 where: short stacking energy: -270.351 Base-Backbone interact. energy: 3.602 local terms energy: -474.197122 where: bonds (distance) C4'-P energy: -107.045 bonds (distance) P-C4' energy: -133.609 flat angles C4'-P-C4' energy: -115.281 flat angles P-C4'-P energy: -76.030 tors. eta vs tors. theta energy: -42.232 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 175 Temperature: 1.250000 Total energy: -726.327438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -726.327438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -726.327438 (E_RNA) where: Base-Base interactions energy: -323.019 where: short stacking energy: -204.888 Base-Backbone interact. energy: 1.015 local terms energy: -404.323822 where: bonds (distance) C4'-P energy: -121.430 bonds (distance) P-C4' energy: -111.535 flat angles C4'-P-C4' energy: -104.759 flat angles P-C4'-P energy: -56.880 tors. eta vs tors. theta energy: -9.719 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 175 Temperature: 1.300000 Total energy: -657.048251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -657.048251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -657.048251 (E_RNA) where: Base-Base interactions energy: -285.839 where: short stacking energy: -163.931 Base-Backbone interact. energy: 2.501 local terms energy: -373.710140 where: bonds (distance) C4'-P energy: -109.580 bonds (distance) P-C4' energy: -111.916 flat angles C4'-P-C4' energy: -105.681 flat angles P-C4'-P energy: -54.821 tors. eta vs tors. theta energy: 8.288 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 175 Temperature: 1.350000 Total energy: -542.449883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -542.449883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -542.449883 (E_RNA) where: Base-Base interactions energy: -239.520 where: short stacking energy: -173.778 Base-Backbone interact. energy: 4.173 local terms energy: -307.102823 where: bonds (distance) C4'-P energy: -80.488 bonds (distance) P-C4' energy: -76.688 flat angles C4'-P-C4' energy: -93.481 flat angles P-C4'-P energy: -57.384 tors. eta vs tors. theta energy: 0.938 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: 1, replica: 10 ===================================== Write number: 176 Temperature: 0.900000 Total energy: -2247.350495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2247.350495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2247.350495 (E_RNA) where: Base-Base interactions energy: -1549.003 where: short stacking energy: -634.796 Base-Backbone interact. energy: -5.135 local terms energy: -693.212750 where: bonds (distance) C4'-P energy: -120.334 bonds (distance) P-C4' energy: -126.376 flat angles C4'-P-C4' energy: -148.581 flat angles P-C4'-P energy: -95.231 tors. eta vs tors. theta energy: -202.691 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: 2, replica: 6 ===================================== Write number: 176 Temperature: 0.950000 Total energy: -2125.936951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2125.936951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2125.936951 (E_RNA) where: Base-Base interactions energy: -1438.056 where: short stacking energy: -624.795 Base-Backbone interact. energy: -3.577 local terms energy: -684.303629 where: bonds (distance) C4'-P energy: -137.022 bonds (distance) P-C4' energy: -126.291 flat angles C4'-P-C4' energy: -143.790 flat angles P-C4'-P energy: -84.166 tors. eta vs tors. theta energy: -193.034 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 176 Temperature: 1.000000 Total energy: -2064.429909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2064.429909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2064.429909 (E_RNA) where: Base-Base interactions energy: -1375.009 where: short stacking energy: -581.730 Base-Backbone interact. energy: 2.556 local terms energy: -691.976762 where: bonds (distance) C4'-P energy: -135.913 bonds (distance) P-C4' energy: -129.767 flat angles C4'-P-C4' energy: -145.601 flat angles P-C4'-P energy: -84.720 tors. eta vs tors. theta energy: -195.976 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 176 Temperature: 1.050000 Total energy: -1899.443658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1899.443658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1899.443658 (E_RNA) where: Base-Base interactions energy: -1244.000 where: short stacking energy: -550.202 Base-Backbone interact. energy: -2.220 local terms energy: -653.223980 where: bonds (distance) C4'-P energy: -119.674 bonds (distance) P-C4' energy: -142.521 flat angles C4'-P-C4' energy: -136.556 flat angles P-C4'-P energy: -90.608 tors. eta vs tors. theta energy: -163.864 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 176 Temperature: 1.100000 Total energy: -1688.275531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1688.275531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1688.275531 (E_RNA) where: Base-Base interactions energy: -1084.191 where: short stacking energy: -493.007 Base-Backbone interact. energy: -0.521 local terms energy: -603.562893 where: bonds (distance) C4'-P energy: -118.899 bonds (distance) P-C4' energy: -114.738 flat angles C4'-P-C4' energy: -120.627 flat angles P-C4'-P energy: -92.021 tors. eta vs tors. theta energy: -157.277 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: 176 Temperature: 1.150000 Total energy: -1584.859599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1584.859599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1584.859599 (E_RNA) where: Base-Base interactions energy: -1042.630 where: short stacking energy: -445.736 Base-Backbone interact. energy: -0.417 local terms energy: -541.812866 where: bonds (distance) C4'-P energy: -104.451 bonds (distance) P-C4' energy: -116.513 flat angles C4'-P-C4' energy: -131.121 flat angles P-C4'-P energy: -69.131 tors. eta vs tors. theta energy: -120.595 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: 7, replica: 1 ===================================== Write number: 176 Temperature: 1.200000 Total energy: -1007.893383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1007.893383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1007.893383 (E_RNA) where: Base-Base interactions energy: -570.650 where: short stacking energy: -267.210 Base-Backbone interact. energy: -4.702 local terms energy: -432.541533 where: bonds (distance) C4'-P energy: -117.102 bonds (distance) P-C4' energy: -104.884 flat angles C4'-P-C4' energy: -110.794 flat angles P-C4'-P energy: -66.920 tors. eta vs tors. theta energy: -32.841 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: 8, replica: 4 ===================================== Write number: 176 Temperature: 1.250000 Total energy: -710.534695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -710.534695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -710.534695 (E_RNA) where: Base-Base interactions energy: -337.521 where: short stacking energy: -196.525 Base-Backbone interact. energy: -1.968 local terms energy: -371.045601 where: bonds (distance) C4'-P energy: -96.488 bonds (distance) P-C4' energy: -125.996 flat angles C4'-P-C4' energy: -91.431 flat angles P-C4'-P energy: -61.421 tors. eta vs tors. theta energy: 4.291 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 176 Temperature: 1.300000 Total energy: -560.240228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -560.240228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -560.240228 (E_RNA) where: Base-Base interactions energy: -207.544 where: short stacking energy: -141.076 Base-Backbone interact. energy: 4.741 local terms energy: -357.437124 where: bonds (distance) C4'-P energy: -90.834 bonds (distance) P-C4' energy: -127.499 flat angles C4'-P-C4' energy: -96.180 flat angles P-C4'-P energy: -60.965 tors. eta vs tors. theta energy: 18.041 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 176 Temperature: 1.350000 Total energy: -595.416903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -595.416903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -595.416903 (E_RNA) where: Base-Base interactions energy: -232.334 where: short stacking energy: -136.591 Base-Backbone interact. energy: -3.002 local terms energy: -360.080839 where: bonds (distance) C4'-P energy: -106.458 bonds (distance) P-C4' energy: -125.563 flat angles C4'-P-C4' energy: -83.950 flat angles P-C4'-P energy: -55.226 tors. eta vs tors. theta energy: 11.116 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: 177 Temperature: 0.900000 Total energy: -2232.999362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2232.999362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2232.999362 (E_RNA) where: Base-Base interactions energy: -1516.818 where: short stacking energy: -607.852 Base-Backbone interact. energy: -3.434 local terms energy: -712.747449 where: bonds (distance) C4'-P energy: -137.604 bonds (distance) P-C4' energy: -143.414 flat angles C4'-P-C4' energy: -153.618 flat angles P-C4'-P energy: -93.316 tors. eta vs tors. theta energy: -184.796 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: 6 ===================================== Write number: 177 Temperature: 0.950000 Total energy: -2117.213557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2117.213557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2117.213557 (E_RNA) where: Base-Base interactions energy: -1420.469 where: short stacking energy: -610.267 Base-Backbone interact. energy: -2.503 local terms energy: -694.242010 where: bonds (distance) C4'-P energy: -131.332 bonds (distance) P-C4' energy: -123.782 flat angles C4'-P-C4' energy: -141.390 flat angles P-C4'-P energy: -101.707 tors. eta vs tors. theta energy: -196.031 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 177 Temperature: 1.000000 Total energy: -2043.787100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2043.787100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2043.787100 (E_RNA) where: Base-Base interactions energy: -1355.589 where: short stacking energy: -545.293 Base-Backbone interact. energy: -3.960 local terms energy: -684.237898 where: bonds (distance) C4'-P energy: -128.693 bonds (distance) P-C4' energy: -141.845 flat angles C4'-P-C4' energy: -144.780 flat angles P-C4'-P energy: -97.339 tors. eta vs tors. theta energy: -171.581 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 177 Temperature: 1.050000 Total energy: -1927.686165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1927.686165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1927.686165 (E_RNA) where: Base-Base interactions energy: -1298.883 where: short stacking energy: -576.915 Base-Backbone interact. energy: -3.818 local terms energy: -624.985773 where: bonds (distance) C4'-P energy: -116.360 bonds (distance) P-C4' energy: -122.707 flat angles C4'-P-C4' energy: -137.283 flat angles P-C4'-P energy: -78.966 tors. eta vs tors. theta energy: -169.670 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 177 Temperature: 1.100000 Total energy: -1676.487768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1676.487768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1676.487768 (E_RNA) where: Base-Base interactions energy: -1121.725 where: short stacking energy: -454.451 Base-Backbone interact. energy: -1.409 local terms energy: -553.353769 where: bonds (distance) C4'-P energy: -99.870 bonds (distance) P-C4' energy: -119.648 flat angles C4'-P-C4' energy: -131.938 flat angles P-C4'-P energy: -68.389 tors. eta vs tors. theta energy: -133.509 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: 7 ===================================== Write number: 177 Temperature: 1.150000 Total energy: -1521.400281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1521.400281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1521.400281 (E_RNA) where: Base-Base interactions energy: -1000.944 where: short stacking energy: -424.417 Base-Backbone interact. energy: 3.395 local terms energy: -523.851005 where: bonds (distance) C4'-P energy: -108.183 bonds (distance) P-C4' energy: -115.453 flat angles C4'-P-C4' energy: -110.393 flat angles P-C4'-P energy: -86.015 tors. eta vs tors. theta energy: -103.807 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: 1 ===================================== Write number: 177 Temperature: 1.200000 Total energy: -1002.118088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1002.118088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1002.118088 (E_RNA) where: Base-Base interactions energy: -578.790 where: short stacking energy: -263.054 Base-Backbone interact. energy: 0.244 local terms energy: -423.572676 where: bonds (distance) C4'-P energy: -107.265 bonds (distance) P-C4' energy: -109.885 flat angles C4'-P-C4' energy: -95.051 flat angles P-C4'-P energy: -72.080 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: 4 ===================================== Write number: 177 Temperature: 1.250000 Total energy: -712.195193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -712.195193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -712.195193 (E_RNA) where: Base-Base interactions energy: -321.048 where: short stacking energy: -211.233 Base-Backbone interact. energy: -0.890 local terms energy: -390.257183 where: bonds (distance) C4'-P energy: -95.329 bonds (distance) P-C4' energy: -105.827 flat angles C4'-P-C4' energy: -101.045 flat angles P-C4'-P energy: -72.224 tors. eta vs tors. theta energy: -15.833 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 177 Temperature: 1.300000 Total energy: -645.044100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -645.044100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -645.044100 (E_RNA) where: Base-Base interactions energy: -258.793 where: short stacking energy: -175.981 Base-Backbone interact. energy: 3.596 local terms energy: -389.846669 where: bonds (distance) C4'-P energy: -96.365 bonds (distance) P-C4' energy: -131.602 flat angles C4'-P-C4' energy: -103.404 flat angles P-C4'-P energy: -56.523 tors. eta vs tors. theta energy: -1.952 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 177 Temperature: 1.350000 Total energy: -580.930380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -580.930380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -580.930380 (E_RNA) where: Base-Base interactions energy: -224.645 where: short stacking energy: -128.287 Base-Backbone interact. energy: -4.151 local terms energy: -352.135025 where: bonds (distance) C4'-P energy: -108.370 bonds (distance) P-C4' energy: -115.396 flat angles C4'-P-C4' energy: -103.305 flat angles P-C4'-P energy: -62.158 tors. eta vs tors. theta energy: 37.095 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 178 Temperature: 0.900000 Total energy: -2235.350309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2235.350309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2235.350309 (E_RNA) where: Base-Base interactions energy: -1530.515 where: short stacking energy: -610.151 Base-Backbone interact. energy: -5.729 local terms energy: -699.106070 where: bonds (distance) C4'-P energy: -138.545 bonds (distance) P-C4' energy: -134.768 flat angles C4'-P-C4' energy: -139.709 flat angles P-C4'-P energy: -94.437 tors. eta vs tors. theta energy: -191.647 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 178 Temperature: 0.950000 Total energy: -2094.198593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2094.198593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2094.198593 (E_RNA) where: Base-Base interactions energy: -1432.077 where: short stacking energy: -583.823 Base-Backbone interact. energy: -3.044 local terms energy: -659.078293 where: bonds (distance) C4'-P energy: -115.582 bonds (distance) P-C4' energy: -121.845 flat angles C4'-P-C4' energy: -140.219 flat angles P-C4'-P energy: -90.849 tors. eta vs tors. theta energy: -190.583 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 178 Temperature: 1.000000 Total energy: -2059.483113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2059.483113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2059.483113 (E_RNA) where: Base-Base interactions energy: -1411.286 where: short stacking energy: -597.022 Base-Backbone interact. energy: -3.105 local terms energy: -645.091319 where: bonds (distance) C4'-P energy: -113.834 bonds (distance) P-C4' energy: -114.496 flat angles C4'-P-C4' energy: -145.013 flat angles P-C4'-P energy: -90.945 tors. eta vs tors. theta energy: -180.803 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: 2 ===================================== Write number: 178 Temperature: 1.050000 Total energy: -1924.024930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1924.024930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1924.024930 (E_RNA) where: Base-Base interactions energy: -1297.809 where: short stacking energy: -559.196 Base-Backbone interact. energy: -0.834 local terms energy: -625.381513 where: bonds (distance) C4'-P energy: -135.235 bonds (distance) P-C4' energy: -117.768 flat angles C4'-P-C4' energy: -130.054 flat angles P-C4'-P energy: -82.625 tors. eta vs tors. theta energy: -159.699 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 178 Temperature: 1.100000 Total energy: -1662.836161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1662.836161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1662.836161 (E_RNA) where: Base-Base interactions energy: -1093.637 where: short stacking energy: -482.453 Base-Backbone interact. energy: 4.885 local terms energy: -574.084539 where: bonds (distance) C4'-P energy: -123.902 bonds (distance) P-C4' energy: -120.460 flat angles C4'-P-C4' energy: -126.487 flat angles P-C4'-P energy: -67.243 tors. eta vs tors. theta energy: -135.992 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: 7 ===================================== Write number: 178 Temperature: 1.150000 Total energy: -1532.492678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1532.492678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1532.492678 (E_RNA) where: Base-Base interactions energy: -985.265 where: short stacking energy: -420.815 Base-Backbone interact. energy: -1.632 local terms energy: -545.595933 where: bonds (distance) C4'-P energy: -122.110 bonds (distance) P-C4' energy: -115.431 flat angles C4'-P-C4' energy: -110.816 flat angles P-C4'-P energy: -91.690 tors. eta vs tors. theta energy: -105.549 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 178 Temperature: 1.200000 Total energy: -1090.013055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1090.013055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1090.013055 (E_RNA) where: Base-Base interactions energy: -650.302 where: short stacking energy: -307.309 Base-Backbone interact. energy: 1.728 local terms energy: -441.439456 where: bonds (distance) C4'-P energy: -110.366 bonds (distance) P-C4' energy: -116.557 flat angles C4'-P-C4' energy: -107.274 flat angles P-C4'-P energy: -62.964 tors. eta vs tors. theta energy: -44.277 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: 178 Temperature: 1.250000 Total energy: -709.732407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -709.732407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -709.732407 (E_RNA) where: Base-Base interactions energy: -324.520 where: short stacking energy: -194.362 Base-Backbone interact. energy: -1.424 local terms energy: -383.788234 where: bonds (distance) C4'-P energy: -99.433 bonds (distance) P-C4' energy: -124.292 flat angles C4'-P-C4' energy: -97.235 flat angles P-C4'-P energy: -64.546 tors. eta vs tors. theta energy: 1.719 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 178 Temperature: 1.300000 Total energy: -677.937460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -677.937460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -677.937460 (E_RNA) where: Base-Base interactions energy: -285.947 where: short stacking energy: -163.385 Base-Backbone interact. energy: 1.072 local terms energy: -393.062236 where: bonds (distance) C4'-P energy: -112.708 bonds (distance) P-C4' energy: -110.211 flat angles C4'-P-C4' energy: -104.465 flat angles P-C4'-P energy: -63.258 tors. eta vs tors. theta energy: -2.420 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 178 Temperature: 1.350000 Total energy: -519.360817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -519.360817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -519.360817 (E_RNA) where: Base-Base interactions energy: -212.081 where: short stacking energy: -138.164 Base-Backbone interact. energy: 5.571 local terms energy: -312.851029 where: bonds (distance) C4'-P energy: -82.993 bonds (distance) P-C4' energy: -95.130 flat angles C4'-P-C4' energy: -91.892 flat angles P-C4'-P energy: -60.911 tors. eta vs tors. theta energy: 18.074 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 179 Temperature: 0.900000 Total energy: -2230.140914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2230.140914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2230.140914 (E_RNA) where: Base-Base interactions energy: -1528.626 where: short stacking energy: -594.222 Base-Backbone interact. energy: -2.661 local terms energy: -698.854098 where: bonds (distance) C4'-P energy: -132.689 bonds (distance) P-C4' energy: -143.463 flat angles C4'-P-C4' energy: -152.312 flat angles P-C4'-P energy: -80.152 tors. eta vs tors. theta energy: -190.237 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: 5 ===================================== Write number: 179 Temperature: 0.950000 Total energy: -2128.527658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2128.527658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2128.527658 (E_RNA) where: Base-Base interactions energy: -1420.511 where: short stacking energy: -635.159 Base-Backbone interact. energy: -2.974 local terms energy: -705.042303 where: bonds (distance) C4'-P energy: -115.216 bonds (distance) P-C4' energy: -137.828 flat angles C4'-P-C4' energy: -138.045 flat angles P-C4'-P energy: -111.107 tors. eta vs tors. theta energy: -202.847 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 179 Temperature: 1.000000 Total energy: -2051.092160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2051.092160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2051.092160 (E_RNA) where: Base-Base interactions energy: -1385.692 where: short stacking energy: -587.340 Base-Backbone interact. energy: -3.244 local terms energy: -662.155953 where: bonds (distance) C4'-P energy: -115.663 bonds (distance) P-C4' energy: -132.984 flat angles C4'-P-C4' energy: -150.123 flat angles P-C4'-P energy: -88.754 tors. eta vs tors. theta energy: -174.631 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 179 Temperature: 1.050000 Total energy: -1940.366907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1940.366907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1940.366907 (E_RNA) where: Base-Base interactions energy: -1298.540 where: short stacking energy: -555.479 Base-Backbone interact. energy: -0.207 local terms energy: -641.619597 where: bonds (distance) C4'-P energy: -114.426 bonds (distance) P-C4' energy: -127.094 flat angles C4'-P-C4' energy: -153.218 flat angles P-C4'-P energy: -77.701 tors. eta vs tors. theta energy: -169.180 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: 5, replica: 8 ===================================== Write number: 179 Temperature: 1.100000 Total energy: -1727.603801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1727.603801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1727.603801 (E_RNA) where: Base-Base interactions energy: -1125.702 where: short stacking energy: -486.287 Base-Backbone interact. energy: -0.328 local terms energy: -601.573629 where: bonds (distance) C4'-P energy: -129.562 bonds (distance) P-C4' energy: -115.853 flat angles C4'-P-C4' energy: -126.779 flat angles P-C4'-P energy: -75.809 tors. eta vs tors. theta energy: -153.571 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 179 Temperature: 1.150000 Total energy: -1545.071753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1545.071753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1545.071753 (E_RNA) where: Base-Base interactions energy: -985.794 where: short stacking energy: -431.903 Base-Backbone interact. energy: -0.917 local terms energy: -558.360738 where: bonds (distance) C4'-P energy: -126.578 bonds (distance) P-C4' energy: -123.590 flat angles C4'-P-C4' energy: -119.039 flat angles P-C4'-P energy: -68.657 tors. eta vs tors. theta energy: -120.496 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 179 Temperature: 1.200000 Total energy: -1106.569136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1106.569136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1106.569136 (E_RNA) where: Base-Base interactions energy: -674.865 where: short stacking energy: -308.305 Base-Backbone interact. energy: 5.167 local terms energy: -437.723581 where: bonds (distance) C4'-P energy: -103.415 bonds (distance) P-C4' energy: -105.676 flat angles C4'-P-C4' energy: -113.526 flat angles P-C4'-P energy: -60.871 tors. eta vs tors. theta energy: -54.235 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.853 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 179 Temperature: 1.250000 Total energy: -820.288044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -820.288044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -820.288044 (E_RNA) where: Base-Base interactions energy: -393.390 where: short stacking energy: -226.509 Base-Backbone interact. energy: -1.467 local terms energy: -425.430915 where: bonds (distance) C4'-P energy: -99.787 bonds (distance) P-C4' energy: -126.838 flat angles C4'-P-C4' energy: -105.342 flat angles P-C4'-P energy: -79.668 tors. eta vs tors. theta energy: -13.796 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: 9, replica: 3 ===================================== Write number: 179 Temperature: 1.300000 Total energy: -680.869682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -680.869682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -680.869682 (E_RNA) where: Base-Base interactions energy: -318.376 where: short stacking energy: -202.581 Base-Backbone interact. energy: 3.553 local terms energy: -366.046740 where: bonds (distance) C4'-P energy: -103.872 bonds (distance) P-C4' energy: -110.671 flat angles C4'-P-C4' energy: -102.547 flat angles P-C4'-P energy: -47.689 tors. eta vs tors. theta energy: -1.268 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: 10, replica: 9 ===================================== Write number: 179 Temperature: 1.350000 Total energy: -487.150368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -487.150368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -487.150368 (E_RNA) where: Base-Base interactions energy: -149.067 where: short stacking energy: -116.280 Base-Backbone interact. energy: 0.436 local terms energy: -338.519333 where: bonds (distance) C4'-P energy: -105.039 bonds (distance) P-C4' energy: -109.348 flat angles C4'-P-C4' energy: -100.610 flat angles P-C4'-P energy: -51.022 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: 1, replica: 10 ===================================== Write number: 180 Temperature: 0.900000 Total energy: -2190.511391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2190.511391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2190.511391 (E_RNA) where: Base-Base interactions energy: -1476.206 where: short stacking energy: -581.017 Base-Backbone interact. energy: -2.702 local terms energy: -711.604048 where: bonds (distance) C4'-P energy: -133.855 bonds (distance) P-C4' energy: -139.892 flat angles C4'-P-C4' energy: -145.579 flat angles P-C4'-P energy: -107.133 tors. eta vs tors. theta energy: -185.146 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 180 Temperature: 0.950000 Total energy: -2124.999897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2124.999897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2124.999897 (E_RNA) where: Base-Base interactions energy: -1421.093 where: short stacking energy: -627.030 Base-Backbone interact. energy: 3.906 local terms energy: -707.812337 where: bonds (distance) C4'-P energy: -138.229 bonds (distance) P-C4' energy: -128.406 flat angles C4'-P-C4' energy: -146.108 flat angles P-C4'-P energy: -103.249 tors. eta vs tors. theta energy: -191.821 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: 180 Temperature: 1.000000 Total energy: -2020.979709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2020.979709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2020.979709 (E_RNA) where: Base-Base interactions energy: -1355.046 where: short stacking energy: -555.942 Base-Backbone interact. energy: -0.506 local terms energy: -665.427408 where: bonds (distance) C4'-P energy: -120.762 bonds (distance) P-C4' energy: -125.097 flat angles C4'-P-C4' energy: -163.045 flat angles P-C4'-P energy: -96.619 tors. eta vs tors. theta energy: -159.905 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: 4, replica: 2 ===================================== Write number: 180 Temperature: 1.050000 Total energy: -1968.109798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1968.109798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1968.109798 (E_RNA) where: Base-Base interactions energy: -1352.661 where: short stacking energy: -581.036 Base-Backbone interact. energy: 4.280 local terms energy: -619.728866 where: bonds (distance) C4'-P energy: -103.355 bonds (distance) P-C4' energy: -116.575 flat angles C4'-P-C4' energy: -134.750 flat angles P-C4'-P energy: -85.367 tors. eta vs tors. theta energy: -179.682 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: 8 ===================================== Write number: 180 Temperature: 1.100000 Total energy: -1742.345469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1742.345469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1742.345469 (E_RNA) where: Base-Base interactions energy: -1149.944 where: short stacking energy: -479.239 Base-Backbone interact. energy: -1.366 local terms energy: -591.035681 where: bonds (distance) C4'-P energy: -120.193 bonds (distance) P-C4' energy: -122.763 flat angles C4'-P-C4' energy: -114.597 flat angles P-C4'-P energy: -89.628 tors. eta vs tors. theta energy: -143.855 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 180 Temperature: 1.150000 Total energy: -1558.105710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1558.105710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1558.105710 (E_RNA) where: Base-Base interactions energy: -1000.177 where: short stacking energy: -436.340 Base-Backbone interact. energy: -3.678 local terms energy: -554.250963 where: bonds (distance) C4'-P energy: -110.452 bonds (distance) P-C4' energy: -118.186 flat angles C4'-P-C4' energy: -124.665 flat angles P-C4'-P energy: -88.215 tors. eta vs tors. theta energy: -112.733 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: 1 ===================================== Write number: 180 Temperature: 1.200000 Total energy: -1083.257275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1083.257275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1083.257275 (E_RNA) where: Base-Base interactions energy: -656.819 where: short stacking energy: -305.584 Base-Backbone interact. energy: -0.096 local terms energy: -426.342480 where: bonds (distance) C4'-P energy: -109.461 bonds (distance) P-C4' energy: -114.192 flat angles C4'-P-C4' energy: -103.425 flat angles P-C4'-P energy: -64.767 tors. eta vs tors. theta energy: -34.498 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 180 Temperature: 1.250000 Total energy: -791.963070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -791.963070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -791.963070 (E_RNA) where: Base-Base interactions energy: -357.738 where: short stacking energy: -206.456 Base-Backbone interact. energy: -3.345 local terms energy: -430.880268 where: bonds (distance) C4'-P energy: -119.144 bonds (distance) P-C4' energy: -118.985 flat angles C4'-P-C4' energy: -101.649 flat angles P-C4'-P energy: -71.885 tors. eta vs tors. theta energy: -19.218 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: 9, replica: 3 ===================================== Write number: 180 Temperature: 1.300000 Total energy: -623.197131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -623.197131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -623.197131 (E_RNA) where: Base-Base interactions energy: -290.012 where: short stacking energy: -182.077 Base-Backbone interact. energy: 0.793 local terms energy: -333.977850 where: bonds (distance) C4'-P energy: -101.837 bonds (distance) P-C4' energy: -106.322 flat angles C4'-P-C4' energy: -96.977 flat angles P-C4'-P energy: -56.509 tors. eta vs tors. theta energy: 27.668 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: 10, replica: 9 ===================================== Write number: 180 Temperature: 1.350000 Total energy: -484.145019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -484.145019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -484.145019 (E_RNA) where: Base-Base interactions energy: -156.105 where: short stacking energy: -117.927 Base-Backbone interact. energy: 4.049 local terms energy: -332.088987 where: bonds (distance) C4'-P energy: -107.955 bonds (distance) P-C4' energy: -109.371 flat angles C4'-P-C4' energy: -81.968 flat angles P-C4'-P energy: -56.703 tors. eta vs tors. theta energy: 23.908 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: 10 ===================================== Write number: 181 Temperature: 0.900000 Total energy: -2198.945139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2198.945139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2198.945139 (E_RNA) where: Base-Base interactions energy: -1498.122 where: short stacking energy: -615.864 Base-Backbone interact. energy: 1.802 local terms energy: -702.624944 where: bonds (distance) C4'-P energy: -141.972 bonds (distance) P-C4' energy: -128.468 flat angles C4'-P-C4' energy: -146.273 flat angles P-C4'-P energy: -92.356 tors. eta vs tors. theta energy: -193.556 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 181 Temperature: 0.950000 Total energy: -2120.046638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2120.046638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2120.046638 (E_RNA) where: Base-Base interactions energy: -1425.563 where: short stacking energy: -639.394 Base-Backbone interact. energy: -1.189 local terms energy: -693.294328 where: bonds (distance) C4'-P energy: -131.528 bonds (distance) P-C4' energy: -132.034 flat angles C4'-P-C4' energy: -148.758 flat angles P-C4'-P energy: -90.796 tors. eta vs tors. theta energy: -190.179 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 181 Temperature: 1.000000 Total energy: -2011.835935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2011.835935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2011.835935 (E_RNA) where: Base-Base interactions energy: -1338.505 where: short stacking energy: -550.890 Base-Backbone interact. energy: -0.654 local terms energy: -672.676732 where: bonds (distance) C4'-P energy: -124.165 bonds (distance) P-C4' energy: -140.756 flat angles C4'-P-C4' energy: -145.244 flat angles P-C4'-P energy: -90.211 tors. eta vs tors. theta energy: -172.301 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: 2 ===================================== Write number: 181 Temperature: 1.050000 Total energy: -1961.755759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1961.755759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1961.755759 (E_RNA) where: Base-Base interactions energy: -1306.639 where: short stacking energy: -547.201 Base-Backbone interact. energy: -1.902 local terms energy: -653.214880 where: bonds (distance) C4'-P energy: -113.381 bonds (distance) P-C4' energy: -129.235 flat angles C4'-P-C4' energy: -140.208 flat angles P-C4'-P energy: -93.419 tors. eta vs tors. theta energy: -176.972 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: 5, replica: 8 ===================================== Write number: 181 Temperature: 1.100000 Total energy: -1739.943733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1739.943733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1739.943733 (E_RNA) where: Base-Base interactions energy: -1204.160 where: short stacking energy: -501.604 Base-Backbone interact. energy: 0.606 local terms energy: -536.389957 where: bonds (distance) C4'-P energy: -84.189 bonds (distance) P-C4' energy: -110.956 flat angles C4'-P-C4' energy: -126.305 flat angles P-C4'-P energy: -73.561 tors. eta vs tors. theta energy: -141.379 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: 181 Temperature: 1.150000 Total energy: -1597.959147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1597.959147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1597.959147 (E_RNA) where: Base-Base interactions energy: -1031.116 where: short stacking energy: -437.126 Base-Backbone interact. energy: -1.085 local terms energy: -565.757936 where: bonds (distance) C4'-P energy: -112.445 bonds (distance) P-C4' energy: -116.641 flat angles C4'-P-C4' energy: -127.942 flat angles P-C4'-P energy: -80.037 tors. eta vs tors. theta energy: -128.694 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: 1 ===================================== Write number: 181 Temperature: 1.200000 Total energy: -1047.536593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1047.536593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1047.536593 (E_RNA) where: Base-Base interactions energy: -578.346 where: short stacking energy: -284.458 Base-Backbone interact. energy: 0.527 local terms energy: -469.717828 where: bonds (distance) C4'-P energy: -112.531 bonds (distance) P-C4' energy: -118.569 flat angles C4'-P-C4' energy: -113.803 flat angles P-C4'-P energy: -72.401 tors. eta vs tors. theta energy: -52.414 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: 4 ===================================== Write number: 181 Temperature: 1.250000 Total energy: -775.483072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -775.483072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -775.483072 (E_RNA) where: Base-Base interactions energy: -381.766 where: short stacking energy: -182.671 Base-Backbone interact. energy: 1.749 local terms energy: -395.465703 where: bonds (distance) C4'-P energy: -103.641 bonds (distance) P-C4' energy: -116.980 flat angles C4'-P-C4' energy: -101.711 flat angles P-C4'-P energy: -77.711 tors. eta vs tors. theta energy: 4.577 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 181 Temperature: 1.300000 Total energy: -623.580387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -623.580387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -623.580387 (E_RNA) where: Base-Base interactions energy: -294.555 where: short stacking energy: -166.162 Base-Backbone interact. energy: 3.622 local terms energy: -332.647498 where: bonds (distance) C4'-P energy: -113.770 bonds (distance) P-C4' energy: -115.390 flat angles C4'-P-C4' energy: -84.225 flat angles P-C4'-P energy: -47.932 tors. eta vs tors. theta energy: 28.670 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: 9 ===================================== Write number: 181 Temperature: 1.350000 Total energy: -493.174528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -493.174528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -493.174528 (E_RNA) where: Base-Base interactions energy: -175.858 where: short stacking energy: -128.825 Base-Backbone interact. energy: 1.631 local terms energy: -318.947606 where: bonds (distance) C4'-P energy: -93.093 bonds (distance) P-C4' energy: -110.653 flat angles C4'-P-C4' energy: -97.118 flat angles P-C4'-P energy: -43.573 tors. eta vs tors. theta energy: 25.491 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: 10 ===================================== Write number: 182 Temperature: 0.900000 Total energy: -2235.446839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2235.446839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2235.446839 (E_RNA) where: Base-Base interactions energy: -1534.045 where: short stacking energy: -627.992 Base-Backbone interact. energy: -2.310 local terms energy: -699.092389 where: bonds (distance) C4'-P energy: -132.824 bonds (distance) P-C4' energy: -141.875 flat angles C4'-P-C4' energy: -144.505 flat angles P-C4'-P energy: -98.183 tors. eta vs tors. theta energy: -181.705 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: 5 ===================================== Write number: 182 Temperature: 0.950000 Total energy: -2129.862636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2129.862636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2129.862636 (E_RNA) where: Base-Base interactions energy: -1439.961 where: short stacking energy: -628.785 Base-Backbone interact. energy: 0.264 local terms energy: -690.164775 where: bonds (distance) C4'-P energy: -125.720 bonds (distance) P-C4' energy: -121.889 flat angles C4'-P-C4' energy: -152.682 flat angles P-C4'-P energy: -97.883 tors. eta vs tors. theta energy: -191.990 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 182 Temperature: 1.000000 Total energy: -2031.081268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2031.081268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2031.081268 (E_RNA) where: Base-Base interactions energy: -1357.991 where: short stacking energy: -587.203 Base-Backbone interact. energy: 0.637 local terms energy: -673.727404 where: bonds (distance) C4'-P energy: -124.696 bonds (distance) P-C4' energy: -132.937 flat angles C4'-P-C4' energy: -137.762 flat angles P-C4'-P energy: -94.595 tors. eta vs tors. theta energy: -183.738 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: 6 ===================================== Write number: 182 Temperature: 1.050000 Total energy: -1973.878311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1973.878311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1973.878311 (E_RNA) where: Base-Base interactions energy: -1328.964 where: short stacking energy: -560.564 Base-Backbone interact. energy: -2.046 local terms energy: -642.868019 where: bonds (distance) C4'-P energy: -123.767 bonds (distance) P-C4' energy: -126.428 flat angles C4'-P-C4' energy: -126.982 flat angles P-C4'-P energy: -86.863 tors. eta vs tors. theta energy: -178.827 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: 182 Temperature: 1.100000 Total energy: -1691.831421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1691.831421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1691.831421 (E_RNA) where: Base-Base interactions energy: -1105.460 where: short stacking energy: -474.514 Base-Backbone interact. energy: 0.228 local terms energy: -586.599159 where: bonds (distance) C4'-P energy: -115.886 bonds (distance) P-C4' energy: -110.870 flat angles C4'-P-C4' energy: -140.505 flat angles P-C4'-P energy: -83.122 tors. eta vs tors. theta energy: -136.216 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: 7 ===================================== Write number: 182 Temperature: 1.150000 Total energy: -1585.175565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1585.175565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1585.175565 (E_RNA) where: Base-Base interactions energy: -1017.192 where: short stacking energy: -443.015 Base-Backbone interact. energy: 0.083 local terms energy: -568.066878 where: bonds (distance) C4'-P energy: -97.553 bonds (distance) P-C4' energy: -129.662 flat angles C4'-P-C4' energy: -129.505 flat angles P-C4'-P energy: -92.784 tors. eta vs tors. theta energy: -118.564 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: 1 ===================================== Write number: 182 Temperature: 1.200000 Total energy: -1114.651005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1114.651005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1114.651005 (E_RNA) where: Base-Base interactions energy: -640.967 where: short stacking energy: -318.460 Base-Backbone interact. energy: -2.107 local terms energy: -471.576368 where: bonds (distance) C4'-P energy: -111.336 bonds (distance) P-C4' energy: -113.108 flat angles C4'-P-C4' energy: -114.151 flat angles P-C4'-P energy: -74.574 tors. eta vs tors. theta energy: -58.408 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: 4 ===================================== Write number: 182 Temperature: 1.250000 Total energy: -751.390115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -751.390115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -751.390115 (E_RNA) where: Base-Base interactions energy: -364.123 where: short stacking energy: -195.094 Base-Backbone interact. energy: -0.248 local terms energy: -387.018848 where: bonds (distance) C4'-P energy: -96.221 bonds (distance) P-C4' energy: -128.176 flat angles C4'-P-C4' energy: -87.796 flat angles P-C4'-P energy: -70.246 tors. eta vs tors. theta energy: -4.580 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: 3 ===================================== Write number: 182 Temperature: 1.300000 Total energy: -625.200620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -625.200620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -625.200620 (E_RNA) where: Base-Base interactions energy: -234.741 where: short stacking energy: -137.785 Base-Backbone interact. energy: -0.483 local terms energy: -389.976622 where: bonds (distance) C4'-P energy: -122.123 bonds (distance) P-C4' energy: -109.801 flat angles C4'-P-C4' energy: -102.830 flat angles P-C4'-P energy: -64.229 tors. eta vs tors. theta energy: 9.008 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 182 Temperature: 1.350000 Total energy: -501.216063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -501.216063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -501.216063 (E_RNA) where: Base-Base interactions energy: -178.126 where: short stacking energy: -149.052 Base-Backbone interact. energy: 4.036 local terms energy: -327.125966 where: bonds (distance) C4'-P energy: -82.596 bonds (distance) P-C4' energy: -117.113 flat angles C4'-P-C4' energy: -111.018 flat angles P-C4'-P energy: -50.174 tors. eta vs tors. theta energy: 33.776 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 183 Temperature: 0.900000 Total energy: -2216.707111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2216.707111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2216.707111 (E_RNA) where: Base-Base interactions energy: -1511.877 where: short stacking energy: -611.513 Base-Backbone interact. energy: -4.827 local terms energy: -700.002710 where: bonds (distance) C4'-P energy: -137.486 bonds (distance) P-C4' energy: -148.080 flat angles C4'-P-C4' energy: -145.562 flat angles P-C4'-P energy: -83.163 tors. eta vs tors. theta energy: -185.712 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 183 Temperature: 0.950000 Total energy: -2124.971979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2124.971979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2124.971979 (E_RNA) where: Base-Base interactions energy: -1419.218 where: short stacking energy: -595.878 Base-Backbone interact. energy: -1.868 local terms energy: -703.885569 where: bonds (distance) C4'-P energy: -146.658 bonds (distance) P-C4' energy: -125.002 flat angles C4'-P-C4' energy: -144.583 flat angles P-C4'-P energy: -103.252 tors. eta vs tors. theta energy: -184.390 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 183 Temperature: 1.000000 Total energy: -2046.555899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2046.555899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2046.555899 (E_RNA) where: Base-Base interactions energy: -1383.870 where: short stacking energy: -591.730 Base-Backbone interact. energy: 0.306 local terms energy: -662.992194 where: bonds (distance) C4'-P energy: -116.955 bonds (distance) P-C4' energy: -127.960 flat angles C4'-P-C4' energy: -150.802 flat angles P-C4'-P energy: -90.307 tors. eta vs tors. theta energy: -176.968 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 183 Temperature: 1.050000 Total energy: -1938.924176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1938.924176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1938.924176 (E_RNA) where: Base-Base interactions energy: -1277.424 where: short stacking energy: -534.387 Base-Backbone interact. energy: -4.823 local terms energy: -656.677061 where: bonds (distance) C4'-P energy: -130.954 bonds (distance) P-C4' energy: -119.252 flat angles C4'-P-C4' energy: -142.866 flat angles P-C4'-P energy: -93.994 tors. eta vs tors. theta energy: -169.610 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: 183 Temperature: 1.100000 Total energy: -1695.339380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1695.339380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1695.339380 (E_RNA) where: Base-Base interactions energy: -1101.748 where: short stacking energy: -453.691 Base-Backbone interact. energy: -1.220 local terms energy: -592.371639 where: bonds (distance) C4'-P energy: -134.201 bonds (distance) P-C4' energy: -125.244 flat angles C4'-P-C4' energy: -122.410 flat angles P-C4'-P energy: -75.749 tors. eta vs tors. theta energy: -134.768 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 183 Temperature: 1.150000 Total energy: -1559.545854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1559.545854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1559.545854 (E_RNA) where: Base-Base interactions energy: -1012.033 where: short stacking energy: -447.910 Base-Backbone interact. energy: -0.166 local terms energy: -547.347035 where: bonds (distance) C4'-P energy: -121.516 bonds (distance) P-C4' energy: -110.910 flat angles C4'-P-C4' energy: -126.339 flat angles P-C4'-P energy: -77.645 tors. eta vs tors. theta energy: -110.938 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 183 Temperature: 1.200000 Total energy: -1143.910232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1143.910232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1143.910232 (E_RNA) where: Base-Base interactions energy: -681.502 where: short stacking energy: -312.821 Base-Backbone interact. energy: -2.807 local terms energy: -459.601599 where: bonds (distance) C4'-P energy: -110.187 bonds (distance) P-C4' energy: -115.128 flat angles C4'-P-C4' energy: -111.608 flat angles P-C4'-P energy: -74.547 tors. eta vs tors. theta energy: -48.131 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 183 Temperature: 1.250000 Total energy: -761.847958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -761.847958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -761.847958 (E_RNA) where: Base-Base interactions energy: -338.771 where: short stacking energy: -218.378 Base-Backbone interact. energy: 1.777 local terms energy: -424.853970 where: bonds (distance) C4'-P energy: -98.342 bonds (distance) P-C4' energy: -131.239 flat angles C4'-P-C4' energy: -107.803 flat angles P-C4'-P energy: -58.488 tors. eta vs tors. theta energy: -28.983 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: 4 ===================================== Write number: 183 Temperature: 1.300000 Total energy: -629.786481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -629.786481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -629.786481 (E_RNA) where: Base-Base interactions energy: -282.901 where: short stacking energy: -170.777 Base-Backbone interact. energy: 2.852 local terms energy: -349.738200 where: bonds (distance) C4'-P energy: -114.625 bonds (distance) P-C4' energy: -114.001 flat angles C4'-P-C4' energy: -83.062 flat angles P-C4'-P energy: -54.211 tors. eta vs tors. theta energy: 16.160 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 183 Temperature: 1.350000 Total energy: -483.770583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -483.770583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -483.770583 (E_RNA) where: Base-Base interactions energy: -153.656 where: short stacking energy: -114.755 Base-Backbone interact. energy: 1.025 local terms energy: -331.139156 where: bonds (distance) C4'-P energy: -101.680 bonds (distance) P-C4' energy: -115.140 flat angles C4'-P-C4' energy: -99.285 flat angles P-C4'-P energy: -42.398 tors. eta vs tors. theta energy: 27.364 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 184 Temperature: 0.900000 Total energy: -2253.184679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2253.184679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2253.184679 (E_RNA) where: Base-Base interactions energy: -1554.255 where: short stacking energy: -604.665 Base-Backbone interact. energy: -5.252 local terms energy: -693.677668 where: bonds (distance) C4'-P energy: -136.523 bonds (distance) P-C4' energy: -130.286 flat angles C4'-P-C4' energy: -148.836 flat angles P-C4'-P energy: -92.257 tors. eta vs tors. theta energy: -185.776 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: 5 ===================================== Write number: 184 Temperature: 0.950000 Total energy: -2135.494087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2135.494087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2135.494087 (E_RNA) where: Base-Base interactions energy: -1443.873 where: short stacking energy: -622.027 Base-Backbone interact. energy: -0.259 local terms energy: -691.361819 where: bonds (distance) C4'-P energy: -129.002 bonds (distance) P-C4' energy: -121.843 flat angles C4'-P-C4' energy: -138.026 flat angles P-C4'-P energy: -99.823 tors. eta vs tors. theta energy: -202.668 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: 3, replica: 2 ===================================== Write number: 184 Temperature: 1.000000 Total energy: -2072.973040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2072.973040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2072.973040 (E_RNA) where: Base-Base interactions energy: -1364.116 where: short stacking energy: -585.623 Base-Backbone interact. energy: -3.016 local terms energy: -705.841649 where: bonds (distance) C4'-P energy: -125.087 bonds (distance) P-C4' energy: -129.313 flat angles C4'-P-C4' energy: -156.170 flat angles P-C4'-P energy: -101.589 tors. eta vs tors. theta energy: -193.683 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 184 Temperature: 1.050000 Total energy: -1950.103791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1950.103791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1950.103791 (E_RNA) where: Base-Base interactions energy: -1308.617 where: short stacking energy: -546.292 Base-Backbone interact. energy: 0.089 local terms energy: -641.575808 where: bonds (distance) C4'-P energy: -132.167 bonds (distance) P-C4' energy: -128.543 flat angles C4'-P-C4' energy: -141.582 flat angles P-C4'-P energy: -70.620 tors. eta vs tors. theta energy: -168.665 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: 8 ===================================== Write number: 184 Temperature: 1.100000 Total energy: -1678.725312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1678.725312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1678.725312 (E_RNA) where: Base-Base interactions energy: -1094.362 where: short stacking energy: -478.066 Base-Backbone interact. energy: -1.441 local terms energy: -582.922325 where: bonds (distance) C4'-P energy: -115.859 bonds (distance) P-C4' energy: -126.973 flat angles C4'-P-C4' energy: -123.377 flat angles P-C4'-P energy: -70.020 tors. eta vs tors. theta energy: -146.692 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 184 Temperature: 1.150000 Total energy: -1546.675703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1546.675703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1546.675703 (E_RNA) where: Base-Base interactions energy: -1012.662 where: short stacking energy: -452.722 Base-Backbone interact. energy: -1.428 local terms energy: -532.585513 where: bonds (distance) C4'-P energy: -108.077 bonds (distance) P-C4' energy: -121.260 flat angles C4'-P-C4' energy: -131.331 flat angles P-C4'-P energy: -54.274 tors. eta vs tors. theta energy: -117.644 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 184 Temperature: 1.200000 Total energy: -1099.715673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1099.715673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1099.715673 (E_RNA) where: Base-Base interactions energy: -605.110 where: short stacking energy: -299.957 Base-Backbone interact. energy: -0.675 local terms energy: -493.930635 where: bonds (distance) C4'-P energy: -116.128 bonds (distance) P-C4' energy: -124.861 flat angles C4'-P-C4' energy: -133.378 flat angles P-C4'-P energy: -64.473 tors. eta vs tors. theta energy: -55.091 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 184 Temperature: 1.250000 Total energy: -745.767831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -745.767831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -745.767831 (E_RNA) where: Base-Base interactions energy: -353.753 where: short stacking energy: -177.305 Base-Backbone interact. energy: -1.059 local terms energy: -390.956400 where: bonds (distance) C4'-P energy: -111.359 bonds (distance) P-C4' energy: -111.189 flat angles C4'-P-C4' energy: -93.815 flat angles P-C4'-P energy: -72.161 tors. eta vs tors. theta energy: -2.432 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 184 Temperature: 1.300000 Total energy: -603.326656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -603.326656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -603.326656 (E_RNA) where: Base-Base interactions energy: -231.561 where: short stacking energy: -161.337 Base-Backbone interact. energy: -0.554 local terms energy: -371.211924 where: bonds (distance) C4'-P energy: -117.302 bonds (distance) P-C4' energy: -114.495 flat angles C4'-P-C4' energy: -84.002 flat angles P-C4'-P energy: -63.285 tors. eta vs tors. theta energy: 7.873 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: 9 ===================================== Write number: 184 Temperature: 1.350000 Total energy: -493.508128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -493.508128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -493.508128 (E_RNA) where: Base-Base interactions energy: -189.264 where: short stacking energy: -126.031 Base-Backbone interact. energy: 1.890 local terms energy: -306.134380 where: bonds (distance) C4'-P energy: -107.716 bonds (distance) P-C4' energy: -100.224 flat angles C4'-P-C4' energy: -82.506 flat angles P-C4'-P energy: -42.687 tors. eta vs tors. theta energy: 26.999 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 185 Temperature: 0.900000 Total energy: -2207.282854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2207.282854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2207.282854 (E_RNA) where: Base-Base interactions energy: -1488.055 where: short stacking energy: -585.858 Base-Backbone interact. energy: -1.330 local terms energy: -717.898023 where: bonds (distance) C4'-P energy: -142.520 bonds (distance) P-C4' energy: -137.722 flat angles C4'-P-C4' energy: -150.461 flat angles P-C4'-P energy: -92.528 tors. eta vs tors. theta energy: -194.666 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 185 Temperature: 0.950000 Total energy: -2140.172961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2140.172961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2140.172961 (E_RNA) where: Base-Base interactions energy: -1443.180 where: short stacking energy: -611.155 Base-Backbone interact. energy: -3.907 local terms energy: -693.086412 where: bonds (distance) C4'-P energy: -123.669 bonds (distance) P-C4' energy: -136.787 flat angles C4'-P-C4' energy: -148.457 flat angles P-C4'-P energy: -98.969 tors. eta vs tors. theta energy: -185.203 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: 2 ===================================== Write number: 185 Temperature: 1.000000 Total energy: -2110.063138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2110.063138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2110.063138 (E_RNA) where: Base-Base interactions energy: -1397.594 where: short stacking energy: -610.430 Base-Backbone interact. energy: -0.644 local terms energy: -711.825219 where: bonds (distance) C4'-P energy: -135.713 bonds (distance) P-C4' energy: -127.857 flat angles C4'-P-C4' energy: -151.856 flat angles P-C4'-P energy: -100.731 tors. eta vs tors. theta energy: -195.669 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 185 Temperature: 1.050000 Total energy: -1912.880643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1912.880643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1912.880643 (E_RNA) where: Base-Base interactions energy: -1290.864 where: short stacking energy: -537.426 Base-Backbone interact. energy: -5.160 local terms energy: -616.856661 where: bonds (distance) C4'-P energy: -122.730 bonds (distance) P-C4' energy: -121.605 flat angles C4'-P-C4' energy: -129.940 flat angles P-C4'-P energy: -77.198 tors. eta vs tors. theta energy: -165.383 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 185 Temperature: 1.100000 Total energy: -1673.007469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1673.007469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1673.007469 (E_RNA) where: Base-Base interactions energy: -1097.491 where: short stacking energy: -471.763 Base-Backbone interact. energy: -2.910 local terms energy: -572.607004 where: bonds (distance) C4'-P energy: -111.700 bonds (distance) P-C4' energy: -118.826 flat angles C4'-P-C4' energy: -133.614 flat angles P-C4'-P energy: -81.013 tors. eta vs tors. theta energy: -127.453 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 185 Temperature: 1.150000 Total energy: -1515.719769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1515.719769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1515.719769 (E_RNA) where: Base-Base interactions energy: -978.893 where: short stacking energy: -394.562 Base-Backbone interact. energy: 0.385 local terms energy: -537.211659 where: bonds (distance) C4'-P energy: -119.828 bonds (distance) P-C4' energy: -115.062 flat angles C4'-P-C4' energy: -121.201 flat angles P-C4'-P energy: -74.320 tors. eta vs tors. theta energy: -106.800 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 185 Temperature: 1.200000 Total energy: -1155.917201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1155.917201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1155.917201 (E_RNA) where: Base-Base interactions energy: -654.419 where: short stacking energy: -340.514 Base-Backbone interact. energy: 1.336 local terms energy: -502.834365 where: bonds (distance) C4'-P energy: -117.867 bonds (distance) P-C4' energy: -110.371 flat angles C4'-P-C4' energy: -126.121 flat angles P-C4'-P energy: -70.805 tors. eta vs tors. theta energy: -77.671 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 185 Temperature: 1.250000 Total energy: -761.513170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -761.513170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -761.513170 (E_RNA) where: Base-Base interactions energy: -380.514 where: short stacking energy: -231.290 Base-Backbone interact. energy: -2.127 local terms energy: -378.871965 where: bonds (distance) C4'-P energy: -101.950 bonds (distance) P-C4' energy: -113.157 flat angles C4'-P-C4' energy: -88.938 flat angles P-C4'-P energy: -65.344 tors. eta vs tors. theta energy: -9.482 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 185 Temperature: 1.300000 Total energy: -635.187559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -635.187559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -635.187559 (E_RNA) where: Base-Base interactions energy: -284.983 where: short stacking energy: -174.913 Base-Backbone interact. energy: 1.033 local terms energy: -351.237088 where: bonds (distance) C4'-P energy: -115.799 bonds (distance) P-C4' energy: -104.174 flat angles C4'-P-C4' energy: -92.803 flat angles P-C4'-P energy: -33.087 tors. eta vs tors. theta energy: -5.374 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 185 Temperature: 1.350000 Total energy: -484.446720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -484.446720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -484.446720 (E_RNA) where: Base-Base interactions energy: -159.390 where: short stacking energy: -100.038 Base-Backbone interact. energy: -1.662 local terms energy: -323.395576 where: bonds (distance) C4'-P energy: -107.264 bonds (distance) P-C4' energy: -119.072 flat angles C4'-P-C4' energy: -85.314 flat angles P-C4'-P energy: -41.995 tors. eta vs tors. theta energy: 30.250 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 186 Temperature: 0.900000 Total energy: -2226.651027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2226.651027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2226.651027 (E_RNA) where: Base-Base interactions energy: -1523.204 where: short stacking energy: -611.141 Base-Backbone interact. energy: -0.585 local terms energy: -702.862635 where: bonds (distance) C4'-P energy: -134.130 bonds (distance) P-C4' energy: -131.429 flat angles C4'-P-C4' energy: -152.167 flat angles P-C4'-P energy: -94.851 tors. eta vs tors. theta energy: -190.284 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 186 Temperature: 0.950000 Total energy: -2123.213083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2123.213083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2123.213083 (E_RNA) where: Base-Base interactions energy: -1460.404 where: short stacking energy: -607.184 Base-Backbone interact. energy: 2.743 local terms energy: -665.551982 where: bonds (distance) C4'-P energy: -131.319 bonds (distance) P-C4' energy: -119.485 flat angles C4'-P-C4' energy: -149.318 flat angles P-C4'-P energy: -80.742 tors. eta vs tors. theta energy: -184.689 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 186 Temperature: 1.000000 Total energy: -2102.463765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2102.463765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2102.463765 (E_RNA) where: Base-Base interactions energy: -1410.998 where: short stacking energy: -598.639 Base-Backbone interact. energy: -1.144 local terms energy: -690.321434 where: bonds (distance) C4'-P energy: -133.846 bonds (distance) P-C4' energy: -123.766 flat angles C4'-P-C4' energy: -140.022 flat angles P-C4'-P energy: -84.991 tors. eta vs tors. theta energy: -207.696 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 186 Temperature: 1.050000 Total energy: -1963.692008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1963.692008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1963.692008 (E_RNA) where: Base-Base interactions energy: -1307.056 where: short stacking energy: -547.858 Base-Backbone interact. energy: -2.912 local terms energy: -653.723283 where: bonds (distance) C4'-P energy: -131.957 bonds (distance) P-C4' energy: -131.842 flat angles C4'-P-C4' energy: -144.480 flat angles P-C4'-P energy: -63.752 tors. eta vs tors. theta energy: -181.693 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: 5, replica: 8 ===================================== Write number: 186 Temperature: 1.100000 Total energy: -1680.463275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1680.463275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1680.463275 (E_RNA) where: Base-Base interactions energy: -1087.430 where: short stacking energy: -474.867 Base-Backbone interact. energy: -2.689 local terms energy: -590.343698 where: bonds (distance) C4'-P energy: -130.810 bonds (distance) P-C4' energy: -138.026 flat angles C4'-P-C4' energy: -112.928 flat angles P-C4'-P energy: -79.947 tors. eta vs tors. theta energy: -128.632 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: 7 ===================================== Write number: 186 Temperature: 1.150000 Total energy: -1509.919710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1509.919710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1509.919710 (E_RNA) where: Base-Base interactions energy: -993.392 where: short stacking energy: -439.908 Base-Backbone interact. energy: -3.678 local terms energy: -512.849519 where: bonds (distance) C4'-P energy: -114.530 bonds (distance) P-C4' energy: -105.504 flat angles C4'-P-C4' energy: -118.420 flat angles P-C4'-P energy: -72.986 tors. eta vs tors. theta energy: -101.410 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 186 Temperature: 1.200000 Total energy: -1241.439412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1241.439412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1241.439412 (E_RNA) where: Base-Base interactions energy: -751.547 where: short stacking energy: -334.072 Base-Backbone interact. energy: 0.405 local terms energy: -490.296744 where: bonds (distance) C4'-P energy: -124.404 bonds (distance) P-C4' energy: -113.288 flat angles C4'-P-C4' energy: -99.476 flat angles P-C4'-P energy: -75.593 tors. eta vs tors. theta energy: -77.535 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 186 Temperature: 1.250000 Total energy: -829.590702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -829.590702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -829.590702 (E_RNA) where: Base-Base interactions energy: -411.995 where: short stacking energy: -229.560 Base-Backbone interact. energy: -2.652 local terms energy: -414.944017 where: bonds (distance) C4'-P energy: -105.854 bonds (distance) P-C4' energy: -113.942 flat angles C4'-P-C4' energy: -101.392 flat angles P-C4'-P energy: -64.663 tors. eta vs tors. theta energy: -29.094 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 186 Temperature: 1.300000 Total energy: -551.573972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -551.573972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -551.573972 (E_RNA) where: Base-Base interactions energy: -193.011 where: short stacking energy: -159.427 Base-Backbone interact. energy: 0.591 local terms energy: -359.153443 where: bonds (distance) C4'-P energy: -117.706 bonds (distance) P-C4' energy: -103.727 flat angles C4'-P-C4' energy: -96.050 flat angles P-C4'-P energy: -46.357 tors. eta vs tors. theta energy: 4.686 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: 10, replica: 4 ===================================== Write number: 186 Temperature: 1.350000 Total energy: -543.337063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -543.337063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -543.337063 (E_RNA) where: Base-Base interactions energy: -196.919 where: short stacking energy: -123.311 Base-Backbone interact. energy: 2.381 local terms energy: -348.799301 where: bonds (distance) C4'-P energy: -100.469 bonds (distance) P-C4' energy: -110.969 flat angles C4'-P-C4' energy: -101.204 flat angles P-C4'-P energy: -72.015 tors. eta vs tors. theta energy: 35.859 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: 10 ===================================== Write number: 187 Temperature: 0.900000 Total energy: -2228.216913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2228.216913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2228.216913 (E_RNA) where: Base-Base interactions energy: -1514.879 where: short stacking energy: -598.083 Base-Backbone interact. energy: -1.889 local terms energy: -711.449536 where: bonds (distance) C4'-P energy: -134.858 bonds (distance) P-C4' energy: -132.920 flat angles C4'-P-C4' energy: -151.870 flat angles P-C4'-P energy: -97.181 tors. eta vs tors. theta energy: -194.619 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 187 Temperature: 0.950000 Total energy: -2131.473894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2131.473894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2131.473894 (E_RNA) where: Base-Base interactions energy: -1417.326 where: short stacking energy: -599.970 Base-Backbone interact. energy: -0.467 local terms energy: -713.680813 where: bonds (distance) C4'-P energy: -129.413 bonds (distance) P-C4' energy: -139.820 flat angles C4'-P-C4' energy: -153.964 flat angles P-C4'-P energy: -89.892 tors. eta vs tors. theta energy: -200.592 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 187 Temperature: 1.000000 Total energy: -2082.394700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2082.394700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2082.394700 (E_RNA) where: Base-Base interactions energy: -1426.108 where: short stacking energy: -593.718 Base-Backbone interact. energy: -0.827 local terms energy: -655.459414 where: bonds (distance) C4'-P energy: -125.567 bonds (distance) P-C4' energy: -133.335 flat angles C4'-P-C4' energy: -134.558 flat angles P-C4'-P energy: -85.713 tors. eta vs tors. theta energy: -176.286 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 187 Temperature: 1.050000 Total energy: -1912.678485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1912.678485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1912.678485 (E_RNA) where: Base-Base interactions energy: -1303.232 where: short stacking energy: -528.119 Base-Backbone interact. energy: -0.951 local terms energy: -608.495258 where: bonds (distance) C4'-P energy: -114.334 bonds (distance) P-C4' energy: -131.129 flat angles C4'-P-C4' energy: -125.688 flat angles P-C4'-P energy: -75.232 tors. eta vs tors. theta energy: -162.112 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: 8 ===================================== Write number: 187 Temperature: 1.100000 Total energy: -1689.898028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1689.898028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1689.898028 (E_RNA) where: Base-Base interactions energy: -1113.798 where: short stacking energy: -459.583 Base-Backbone interact. energy: -3.892 local terms energy: -572.208933 where: bonds (distance) C4'-P energy: -127.747 bonds (distance) P-C4' energy: -114.561 flat angles C4'-P-C4' energy: -115.367 flat angles P-C4'-P energy: -78.337 tors. eta vs tors. theta energy: -136.197 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 187 Temperature: 1.150000 Total energy: -1554.099520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1554.099520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1554.099520 (E_RNA) where: Base-Base interactions energy: -1003.362 where: short stacking energy: -422.003 Base-Backbone interact. energy: 2.374 local terms energy: -553.110844 where: bonds (distance) C4'-P energy: -126.565 bonds (distance) P-C4' energy: -119.216 flat angles C4'-P-C4' energy: -112.522 flat angles P-C4'-P energy: -72.737 tors. eta vs tors. theta energy: -122.071 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: 1 ===================================== Write number: 187 Temperature: 1.200000 Total energy: -1168.656379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1168.656379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1168.656379 (E_RNA) where: Base-Base interactions energy: -705.828 where: short stacking energy: -326.780 Base-Backbone interact. energy: -1.504 local terms energy: -461.323809 where: bonds (distance) C4'-P energy: -119.287 bonds (distance) P-C4' energy: -107.546 flat angles C4'-P-C4' energy: -125.246 flat angles P-C4'-P energy: -45.064 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: 3 ===================================== Write number: 187 Temperature: 1.250000 Total energy: -782.592527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -782.592527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -782.592527 (E_RNA) where: Base-Base interactions energy: -371.372 where: short stacking energy: -219.531 Base-Backbone interact. energy: -1.205 local terms energy: -410.558226 where: bonds (distance) C4'-P energy: -115.429 bonds (distance) P-C4' energy: -115.388 flat angles C4'-P-C4' energy: -116.553 flat angles P-C4'-P energy: -53.205 tors. eta vs tors. theta energy: -9.983 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.542 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 187 Temperature: 1.300000 Total energy: -519.173161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -519.173161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -519.173161 (E_RNA) where: Base-Base interactions energy: -176.339 where: short stacking energy: -143.634 Base-Backbone interact. energy: 7.485 local terms energy: -350.319442 where: bonds (distance) C4'-P energy: -113.105 bonds (distance) P-C4' energy: -126.530 flat angles C4'-P-C4' energy: -98.156 flat angles P-C4'-P energy: -39.747 tors. eta vs tors. theta energy: 27.219 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: 4 ===================================== Write number: 187 Temperature: 1.350000 Total energy: -568.170887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -568.170887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -568.170887 (E_RNA) where: Base-Base interactions energy: -253.299 where: short stacking energy: -140.805 Base-Backbone interact. energy: 5.927 local terms energy: -320.798372 where: bonds (distance) C4'-P energy: -119.034 bonds (distance) P-C4' energy: -106.393 flat angles C4'-P-C4' energy: -96.037 flat angles P-C4'-P energy: -33.319 tors. eta vs tors. theta energy: 33.984 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 188 Temperature: 0.900000 Total energy: -2243.186123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2243.186123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2243.186123 (E_RNA) where: Base-Base interactions energy: -1542.721 where: short stacking energy: -621.268 Base-Backbone interact. energy: -1.574 local terms energy: -698.891258 where: bonds (distance) C4'-P energy: -128.851 bonds (distance) P-C4' energy: -137.792 flat angles C4'-P-C4' energy: -153.902 flat angles P-C4'-P energy: -91.983 tors. eta vs tors. theta energy: -186.362 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 188 Temperature: 0.950000 Total energy: -2147.967440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2147.967440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2147.967440 (E_RNA) where: Base-Base interactions energy: -1447.286 where: short stacking energy: -624.003 Base-Backbone interact. energy: -3.531 local terms energy: -697.150540 where: bonds (distance) C4'-P energy: -122.900 bonds (distance) P-C4' energy: -122.104 flat angles C4'-P-C4' energy: -155.565 flat angles P-C4'-P energy: -99.665 tors. eta vs tors. theta energy: -196.916 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 188 Temperature: 1.000000 Total energy: -2056.262339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2056.262339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2056.262339 (E_RNA) where: Base-Base interactions energy: -1426.773 where: short stacking energy: -607.041 Base-Backbone interact. energy: -2.191 local terms energy: -627.298470 where: bonds (distance) C4'-P energy: -119.238 bonds (distance) P-C4' energy: -123.866 flat angles C4'-P-C4' energy: -135.435 flat angles P-C4'-P energy: -77.531 tors. eta vs tors. theta energy: -171.228 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: 4, replica: 6 ===================================== Write number: 188 Temperature: 1.050000 Total energy: -1910.126252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1910.126252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1910.126252 (E_RNA) where: Base-Base interactions energy: -1313.161 where: short stacking energy: -533.940 Base-Backbone interact. energy: -1.597 local terms energy: -595.368061 where: bonds (distance) C4'-P energy: -105.091 bonds (distance) P-C4' energy: -127.384 flat angles C4'-P-C4' energy: -126.467 flat angles P-C4'-P energy: -72.901 tors. eta vs tors. theta energy: -163.525 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: 8 ===================================== Write number: 188 Temperature: 1.100000 Total energy: -1670.046659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1670.046659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1670.046659 (E_RNA) where: Base-Base interactions energy: -1095.994 where: short stacking energy: -488.029 Base-Backbone interact. energy: -2.338 local terms energy: -571.714669 where: bonds (distance) C4'-P energy: -120.771 bonds (distance) P-C4' energy: -117.043 flat angles C4'-P-C4' energy: -128.376 flat angles P-C4'-P energy: -80.752 tors. eta vs tors. theta energy: -124.773 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: 7 ===================================== Write number: 188 Temperature: 1.150000 Total energy: -1544.120814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1544.120814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1544.120814 (E_RNA) where: Base-Base interactions energy: -1024.345 where: short stacking energy: -439.875 Base-Backbone interact. energy: -1.964 local terms energy: -517.811453 where: bonds (distance) C4'-P energy: -97.344 bonds (distance) P-C4' energy: -114.050 flat angles C4'-P-C4' energy: -115.350 flat angles P-C4'-P energy: -70.697 tors. eta vs tors. theta energy: -120.371 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 188 Temperature: 1.200000 Total energy: -1122.100160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1122.100160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1122.100160 (E_RNA) where: Base-Base interactions energy: -662.867 where: short stacking energy: -309.163 Base-Backbone interact. energy: 1.714 local terms energy: -460.947590 where: bonds (distance) C4'-P energy: -113.539 bonds (distance) P-C4' energy: -120.327 flat angles C4'-P-C4' energy: -110.355 flat angles P-C4'-P energy: -68.578 tors. eta vs tors. theta energy: -48.149 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 188 Temperature: 1.250000 Total energy: -792.035935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -792.035935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -792.035935 (E_RNA) where: Base-Base interactions energy: -379.727 where: short stacking energy: -216.840 Base-Backbone interact. energy: 4.003 local terms energy: -416.311951 where: bonds (distance) C4'-P energy: -112.087 bonds (distance) P-C4' energy: -127.836 flat angles C4'-P-C4' energy: -97.909 flat angles P-C4'-P energy: -53.505 tors. eta vs tors. theta energy: -24.975 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 188 Temperature: 1.300000 Total energy: -541.259653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -541.259653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -541.259653 (E_RNA) where: Base-Base interactions energy: -175.205 where: short stacking energy: -149.780 Base-Backbone interact. energy: -3.993 local terms energy: -362.061493 where: bonds (distance) C4'-P energy: -114.935 bonds (distance) P-C4' energy: -125.761 flat angles C4'-P-C4' energy: -85.572 flat angles P-C4'-P energy: -48.674 tors. eta vs tors. theta energy: 12.880 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 188 Temperature: 1.350000 Total energy: -571.134988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -571.134988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -571.134988 (E_RNA) where: Base-Base interactions energy: -230.120 where: short stacking energy: -142.224 Base-Backbone interact. energy: 0.350 local terms energy: -341.364287 where: bonds (distance) C4'-P energy: -89.390 bonds (distance) P-C4' energy: -121.043 flat angles C4'-P-C4' energy: -95.987 flat angles P-C4'-P energy: -53.492 tors. eta vs tors. theta energy: 18.547 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 189 Temperature: 0.900000 Total energy: -2221.073946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2221.073946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2221.073946 (E_RNA) where: Base-Base interactions energy: -1516.411 where: short stacking energy: -598.972 Base-Backbone interact. energy: -4.579 local terms energy: -700.083658 where: bonds (distance) C4'-P energy: -139.575 bonds (distance) P-C4' energy: -134.763 flat angles C4'-P-C4' energy: -149.982 flat angles P-C4'-P energy: -90.863 tors. eta vs tors. theta energy: -184.900 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 189 Temperature: 0.950000 Total energy: -2140.344098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2140.344098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2140.344098 (E_RNA) where: Base-Base interactions energy: -1433.630 where: short stacking energy: -628.669 Base-Backbone interact. energy: -2.216 local terms energy: -704.497770 where: bonds (distance) C4'-P energy: -125.440 bonds (distance) P-C4' energy: -129.926 flat angles C4'-P-C4' energy: -147.506 flat angles P-C4'-P energy: -94.398 tors. eta vs tors. theta energy: -207.228 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 189 Temperature: 1.000000 Total energy: -2063.409320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2063.409320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2063.409320 (E_RNA) where: Base-Base interactions energy: -1392.680 where: short stacking energy: -573.126 Base-Backbone interact. energy: -2.205 local terms energy: -668.523962 where: bonds (distance) C4'-P energy: -120.051 bonds (distance) P-C4' energy: -129.859 flat angles C4'-P-C4' energy: -140.216 flat angles P-C4'-P energy: -93.643 tors. eta vs tors. theta energy: -184.754 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 189 Temperature: 1.050000 Total energy: -1831.523349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1831.523349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1831.523349 (E_RNA) where: Base-Base interactions energy: -1220.652 where: short stacking energy: -508.110 Base-Backbone interact. energy: -1.114 local terms energy: -609.757401 where: bonds (distance) C4'-P energy: -135.182 bonds (distance) P-C4' energy: -120.467 flat angles C4'-P-C4' energy: -129.345 flat angles P-C4'-P energy: -77.042 tors. eta vs tors. theta energy: -147.722 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 189 Temperature: 1.100000 Total energy: -1721.462685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1721.462685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1721.462685 (E_RNA) where: Base-Base interactions energy: -1149.802 where: short stacking energy: -487.584 Base-Backbone interact. energy: 0.797 local terms energy: -572.457901 where: bonds (distance) C4'-P energy: -120.831 bonds (distance) P-C4' energy: -118.667 flat angles C4'-P-C4' energy: -128.272 flat angles P-C4'-P energy: -75.577 tors. eta vs tors. theta energy: -129.110 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 189 Temperature: 1.150000 Total energy: -1562.045903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1562.045903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1562.045903 (E_RNA) where: Base-Base interactions energy: -1004.986 where: short stacking energy: -431.760 Base-Backbone interact. energy: -1.799 local terms energy: -555.260515 where: bonds (distance) C4'-P energy: -114.276 bonds (distance) P-C4' energy: -120.844 flat angles C4'-P-C4' energy: -136.424 flat angles P-C4'-P energy: -80.591 tors. eta vs tors. theta energy: -103.126 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 189 Temperature: 1.200000 Total energy: -1097.730890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1097.730890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1097.730890 (E_RNA) where: Base-Base interactions energy: -645.346 where: short stacking energy: -322.469 Base-Backbone interact. energy: 0.464 local terms energy: -452.849685 where: bonds (distance) C4'-P energy: -112.916 bonds (distance) P-C4' energy: -113.953 flat angles C4'-P-C4' energy: -110.555 flat angles P-C4'-P energy: -59.425 tors. eta vs tors. theta energy: -56.001 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 189 Temperature: 1.250000 Total energy: -779.816060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -779.816060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -779.816060 (E_RNA) where: Base-Base interactions energy: -364.695 where: short stacking energy: -212.271 Base-Backbone interact. energy: -1.376 local terms energy: -413.744899 where: bonds (distance) C4'-P energy: -102.645 bonds (distance) P-C4' energy: -116.433 flat angles C4'-P-C4' energy: -118.879 flat angles P-C4'-P energy: -57.685 tors. eta vs tors. theta energy: -18.103 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 189 Temperature: 1.300000 Total energy: -531.538181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -531.538181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -531.538181 (E_RNA) where: Base-Base interactions energy: -181.787 where: short stacking energy: -141.624 Base-Backbone interact. energy: 3.850 local terms energy: -353.601929 where: bonds (distance) C4'-P energy: -110.433 bonds (distance) P-C4' energy: -121.844 flat angles C4'-P-C4' energy: -92.678 flat angles P-C4'-P energy: -51.147 tors. eta vs tors. theta energy: 22.499 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: 4 ===================================== Write number: 189 Temperature: 1.350000 Total energy: -517.876466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -517.876466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -517.876466 (E_RNA) where: Base-Base interactions energy: -181.642 where: short stacking energy: -130.304 Base-Backbone interact. energy: 0.376 local terms energy: -336.610420 where: bonds (distance) C4'-P energy: -95.345 bonds (distance) P-C4' energy: -116.605 flat angles C4'-P-C4' energy: -88.089 flat angles P-C4'-P energy: -61.840 tors. eta vs tors. theta energy: 25.268 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: 10 ===================================== Write number: 190 Temperature: 0.900000 Total energy: -2229.534643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2229.534643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2229.534643 (E_RNA) where: Base-Base interactions energy: -1530.999 where: short stacking energy: -621.642 Base-Backbone interact. energy: -0.078 local terms energy: -698.457871 where: bonds (distance) C4'-P energy: -127.884 bonds (distance) P-C4' energy: -125.616 flat angles C4'-P-C4' energy: -155.108 flat angles P-C4'-P energy: -95.990 tors. eta vs tors. theta energy: -193.860 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: 2, replica: 2 ===================================== Write number: 190 Temperature: 0.950000 Total energy: -2211.566287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2211.566287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2211.566287 (E_RNA) where: Base-Base interactions energy: -1506.148 where: short stacking energy: -604.156 Base-Backbone interact. energy: -1.704 local terms energy: -703.714402 where: bonds (distance) C4'-P energy: -121.493 bonds (distance) P-C4' energy: -135.395 flat angles C4'-P-C4' energy: -148.194 flat angles P-C4'-P energy: -96.301 tors. eta vs tors. theta energy: -202.331 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 190 Temperature: 1.000000 Total energy: -2030.316901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2030.316901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2030.316901 (E_RNA) where: Base-Base interactions energy: -1398.573 where: short stacking energy: -582.528 Base-Backbone interact. energy: -0.063 local terms energy: -631.680722 where: bonds (distance) C4'-P energy: -120.214 bonds (distance) P-C4' energy: -131.657 flat angles C4'-P-C4' energy: -129.764 flat angles P-C4'-P energy: -74.868 tors. eta vs tors. theta energy: -175.177 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 190 Temperature: 1.050000 Total energy: -1923.067764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1923.067764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1923.067764 (E_RNA) where: Base-Base interactions energy: -1293.898 where: short stacking energy: -543.598 Base-Backbone interact. energy: -1.998 local terms energy: -627.171856 where: bonds (distance) C4'-P energy: -135.425 bonds (distance) P-C4' energy: -114.546 flat angles C4'-P-C4' energy: -141.486 flat angles P-C4'-P energy: -77.491 tors. eta vs tors. theta energy: -158.224 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 190 Temperature: 1.100000 Total energy: -1648.090325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1648.090325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1648.090325 (E_RNA) where: Base-Base interactions energy: -1071.323 where: short stacking energy: -476.728 Base-Backbone interact. energy: -1.655 local terms energy: -575.112595 where: bonds (distance) C4'-P energy: -127.102 bonds (distance) P-C4' energy: -119.305 flat angles C4'-P-C4' energy: -117.138 flat angles P-C4'-P energy: -71.683 tors. eta vs tors. theta energy: -139.885 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: 190 Temperature: 1.150000 Total energy: -1653.414129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1653.414129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1653.414129 (E_RNA) where: Base-Base interactions energy: -1075.981 where: short stacking energy: -460.112 Base-Backbone interact. energy: -1.832 local terms energy: -575.600871 where: bonds (distance) C4'-P energy: -109.141 bonds (distance) P-C4' energy: -117.167 flat angles C4'-P-C4' energy: -129.466 flat angles P-C4'-P energy: -84.453 tors. eta vs tors. theta energy: -135.374 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 190 Temperature: 1.200000 Total energy: -1088.471007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1088.471007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1088.471007 (E_RNA) where: Base-Base interactions energy: -611.073 where: short stacking energy: -290.693 Base-Backbone interact. energy: -1.843 local terms energy: -475.555834 where: bonds (distance) C4'-P energy: -121.475 bonds (distance) P-C4' energy: -108.680 flat angles C4'-P-C4' energy: -116.909 flat angles P-C4'-P energy: -76.499 tors. eta vs tors. theta energy: -51.993 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: 3 ===================================== Write number: 190 Temperature: 1.250000 Total energy: -763.623390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -763.623390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -763.623390 (E_RNA) where: Base-Base interactions energy: -378.825 where: short stacking energy: -204.521 Base-Backbone interact. energy: -0.733 local terms energy: -384.064838 where: bonds (distance) C4'-P energy: -96.555 bonds (distance) P-C4' energy: -119.119 flat angles C4'-P-C4' energy: -100.963 flat angles P-C4'-P energy: -53.721 tors. eta vs tors. theta energy: -13.707 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 190 Temperature: 1.300000 Total energy: -560.237475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -560.237475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -560.237475 (E_RNA) where: Base-Base interactions energy: -216.628 where: short stacking energy: -142.870 Base-Backbone interact. energy: -1.296 local terms energy: -342.312924 where: bonds (distance) C4'-P energy: -119.771 bonds (distance) P-C4' energy: -104.613 flat angles C4'-P-C4' energy: -92.643 flat angles P-C4'-P energy: -40.512 tors. eta vs tors. theta energy: 15.227 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 190 Temperature: 1.350000 Total energy: -477.803441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -477.803441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -477.803441 (E_RNA) where: Base-Base interactions energy: -138.870 where: short stacking energy: -101.972 Base-Backbone interact. energy: -0.234 local terms energy: -338.699399 where: bonds (distance) C4'-P energy: -101.833 bonds (distance) P-C4' energy: -112.143 flat angles C4'-P-C4' energy: -99.748 flat angles P-C4'-P energy: -54.781 tors. eta vs tors. theta energy: 29.805 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 191 Temperature: 0.900000 Total energy: -2220.135266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2220.135266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2220.135266 (E_RNA) where: Base-Base interactions energy: -1506.911 where: short stacking energy: -613.950 Base-Backbone interact. energy: -3.832 local terms energy: -709.392288 where: bonds (distance) C4'-P energy: -126.837 bonds (distance) P-C4' energy: -137.139 flat angles C4'-P-C4' energy: -146.918 flat angles P-C4'-P energy: -103.649 tors. eta vs tors. theta energy: -194.850 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 191 Temperature: 0.950000 Total energy: -2208.312921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2208.312921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2208.312921 (E_RNA) where: Base-Base interactions energy: -1482.520 where: short stacking energy: -642.492 Base-Backbone interact. energy: -2.334 local terms energy: -723.459165 where: bonds (distance) C4'-P energy: -143.483 bonds (distance) P-C4' energy: -140.044 flat angles C4'-P-C4' energy: -142.567 flat angles P-C4'-P energy: -88.793 tors. eta vs tors. theta energy: -208.572 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 191 Temperature: 1.000000 Total energy: -2055.559128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2055.559128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2055.559128 (E_RNA) where: Base-Base interactions energy: -1391.867 where: short stacking energy: -570.641 Base-Backbone interact. energy: -4.361 local terms energy: -659.331465 where: bonds (distance) C4'-P energy: -122.921 bonds (distance) P-C4' energy: -117.585 flat angles C4'-P-C4' energy: -141.726 flat angles P-C4'-P energy: -91.088 tors. eta vs tors. theta energy: -186.011 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: 6 ===================================== Write number: 191 Temperature: 1.050000 Total energy: -1864.077174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1864.077174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1864.077174 (E_RNA) where: Base-Base interactions energy: -1240.917 where: short stacking energy: -494.581 Base-Backbone interact. energy: -2.319 local terms energy: -620.840692 where: bonds (distance) C4'-P energy: -125.376 bonds (distance) P-C4' energy: -137.160 flat angles C4'-P-C4' energy: -131.680 flat angles P-C4'-P energy: -91.731 tors. eta vs tors. theta energy: -134.894 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 191 Temperature: 1.100000 Total energy: -1710.998760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1710.998760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1710.998760 (E_RNA) where: Base-Base interactions energy: -1139.285 where: short stacking energy: -483.205 Base-Backbone interact. energy: -4.374 local terms energy: -567.340520 where: bonds (distance) C4'-P energy: -113.958 bonds (distance) P-C4' energy: -115.655 flat angles C4'-P-C4' energy: -142.459 flat angles P-C4'-P energy: -84.316 tors. eta vs tors. theta energy: -110.952 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: 7 ===================================== Write number: 191 Temperature: 1.150000 Total energy: -1655.183366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1655.183366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1655.183366 (E_RNA) where: Base-Base interactions energy: -1102.689 where: short stacking energy: -459.093 Base-Backbone interact. energy: 2.009 local terms energy: -554.503881 where: bonds (distance) C4'-P energy: -107.478 bonds (distance) P-C4' energy: -115.313 flat angles C4'-P-C4' energy: -111.748 flat angles P-C4'-P energy: -96.983 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: 7, replica: 1 ===================================== Write number: 191 Temperature: 1.200000 Total energy: -1154.743320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1154.743320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1154.743320 (E_RNA) where: Base-Base interactions energy: -681.645 where: short stacking energy: -321.159 Base-Backbone interact. energy: 0.896 local terms energy: -473.994299 where: bonds (distance) C4'-P energy: -117.475 bonds (distance) P-C4' energy: -93.565 flat angles C4'-P-C4' energy: -118.715 flat angles P-C4'-P energy: -65.792 tors. eta vs tors. theta energy: -78.448 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: 3 ===================================== Write number: 191 Temperature: 1.250000 Total energy: -788.952456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -788.952456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -788.952456 (E_RNA) where: Base-Base interactions energy: -380.447 where: short stacking energy: -234.813 Base-Backbone interact. energy: -0.184 local terms energy: -408.320890 where: bonds (distance) C4'-P energy: -119.070 bonds (distance) P-C4' energy: -124.281 flat angles C4'-P-C4' energy: -103.084 flat angles P-C4'-P energy: -66.387 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: 4 ===================================== Write number: 191 Temperature: 1.300000 Total energy: -565.463266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -565.463266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -565.463266 (E_RNA) where: Base-Base interactions energy: -199.273 where: short stacking energy: -158.966 Base-Backbone interact. energy: -2.332 local terms energy: -363.858603 where: bonds (distance) C4'-P energy: -91.833 bonds (distance) P-C4' energy: -109.328 flat angles C4'-P-C4' energy: -94.386 flat angles P-C4'-P energy: -74.502 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: 10, replica: 9 ===================================== Write number: 191 Temperature: 1.350000 Total energy: -480.423814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -480.423814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -480.423814 (E_RNA) where: Base-Base interactions energy: -170.814 where: short stacking energy: -134.860 Base-Backbone interact. energy: 4.023 local terms energy: -313.633368 where: bonds (distance) C4'-P energy: -105.005 bonds (distance) P-C4' energy: -96.829 flat angles C4'-P-C4' energy: -96.734 flat angles P-C4'-P energy: -39.111 tors. eta vs tors. theta energy: 24.047 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: 1, replica: 10 ===================================== Write number: 192 Temperature: 0.900000 Total energy: -2208.262207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2208.262207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2208.262207 (E_RNA) where: Base-Base interactions energy: -1501.202 where: short stacking energy: -631.602 Base-Backbone interact. energy: -4.506 local terms energy: -702.553479 where: bonds (distance) C4'-P energy: -124.534 bonds (distance) P-C4' energy: -129.768 flat angles C4'-P-C4' energy: -153.776 flat angles P-C4'-P energy: -109.757 tors. eta vs tors. theta energy: -184.719 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 192 Temperature: 0.950000 Total energy: -2174.385433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2174.385433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2174.385433 (E_RNA) where: Base-Base interactions energy: -1475.186 where: short stacking energy: -631.886 Base-Backbone interact. energy: -1.689 local terms energy: -697.510378 where: bonds (distance) C4'-P energy: -122.515 bonds (distance) P-C4' energy: -127.283 flat angles C4'-P-C4' energy: -146.614 flat angles P-C4'-P energy: -98.755 tors. eta vs tors. theta energy: -202.342 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 192 Temperature: 1.000000 Total energy: -2086.315137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2086.315137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2086.315137 (E_RNA) where: Base-Base interactions energy: -1410.920 where: short stacking energy: -578.601 Base-Backbone interact. energy: 2.080 local terms energy: -677.475181 where: bonds (distance) C4'-P energy: -126.840 bonds (distance) P-C4' energy: -129.514 flat angles C4'-P-C4' energy: -141.188 flat angles P-C4'-P energy: -97.659 tors. eta vs tors. theta energy: -182.275 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: 192 Temperature: 1.050000 Total energy: -1875.954876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1875.954876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1875.954876 (E_RNA) where: Base-Base interactions energy: -1252.924 where: short stacking energy: -515.974 Base-Backbone interact. energy: 1.659 local terms energy: -624.689903 where: bonds (distance) C4'-P energy: -111.969 bonds (distance) P-C4' energy: -135.132 flat angles C4'-P-C4' energy: -145.550 flat angles P-C4'-P energy: -94.508 tors. eta vs tors. theta energy: -137.531 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 192 Temperature: 1.100000 Total energy: -1700.851375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1700.851375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1700.851375 (E_RNA) where: Base-Base interactions energy: -1138.744 where: short stacking energy: -454.090 Base-Backbone interact. energy: -1.638 local terms energy: -560.468576 where: bonds (distance) C4'-P energy: -111.074 bonds (distance) P-C4' energy: -99.295 flat angles C4'-P-C4' energy: -133.154 flat angles P-C4'-P energy: -86.400 tors. eta vs tors. theta energy: -130.545 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 192 Temperature: 1.150000 Total energy: -1597.488660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1597.488660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1597.488660 (E_RNA) where: Base-Base interactions energy: -1035.726 where: short stacking energy: -416.100 Base-Backbone interact. energy: -3.472 local terms energy: -558.290618 where: bonds (distance) C4'-P energy: -101.929 bonds (distance) P-C4' energy: -125.677 flat angles C4'-P-C4' energy: -139.331 flat angles P-C4'-P energy: -83.272 tors. eta vs tors. theta energy: -108.081 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 192 Temperature: 1.200000 Total energy: -1149.722572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1149.722572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1149.722572 (E_RNA) where: Base-Base interactions energy: -679.243 where: short stacking energy: -321.136 Base-Backbone interact. energy: -1.880 local terms energy: -468.599913 where: bonds (distance) C4'-P energy: -121.335 bonds (distance) P-C4' energy: -102.293 flat angles C4'-P-C4' energy: -116.900 flat angles P-C4'-P energy: -73.453 tors. eta vs tors. theta energy: -54.618 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: 3 ===================================== Write number: 192 Temperature: 1.250000 Total energy: -812.147069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -812.147069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -812.147069 (E_RNA) where: Base-Base interactions energy: -410.563 where: short stacking energy: -202.232 Base-Backbone interact. energy: -2.264 local terms energy: -399.319708 where: bonds (distance) C4'-P energy: -113.278 bonds (distance) P-C4' energy: -101.287 flat angles C4'-P-C4' energy: -117.344 flat angles P-C4'-P energy: -68.349 tors. eta vs tors. theta energy: 0.938 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: 4 ===================================== Write number: 192 Temperature: 1.300000 Total energy: -581.512435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -581.512435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -581.512435 (E_RNA) where: Base-Base interactions energy: -215.533 where: short stacking energy: -140.687 Base-Backbone interact. energy: 6.496 local terms energy: -372.475748 where: bonds (distance) C4'-P energy: -108.477 bonds (distance) P-C4' energy: -124.046 flat angles C4'-P-C4' energy: -86.155 flat angles P-C4'-P energy: -68.645 tors. eta vs tors. theta energy: 14.846 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: 9 ===================================== Write number: 192 Temperature: 1.350000 Total energy: -538.069993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -538.069993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -538.069993 (E_RNA) where: Base-Base interactions energy: -196.883 where: short stacking energy: -129.803 Base-Backbone interact. energy: -2.564 local terms energy: -338.623365 where: bonds (distance) C4'-P energy: -98.531 bonds (distance) P-C4' energy: -112.021 flat angles C4'-P-C4' energy: -93.198 flat angles P-C4'-P energy: -58.806 tors. eta vs tors. theta energy: 23.932 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 193 Temperature: 0.900000 Total energy: -2157.196652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2157.196652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2157.196652 (E_RNA) where: Base-Base interactions energy: -1463.865 where: short stacking energy: -594.580 Base-Backbone interact. energy: -3.693 local terms energy: -689.638230 where: bonds (distance) C4'-P energy: -129.810 bonds (distance) P-C4' energy: -139.520 flat angles C4'-P-C4' energy: -140.955 flat angles P-C4'-P energy: -95.225 tors. eta vs tors. theta energy: -184.128 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 193 Temperature: 0.950000 Total energy: -2120.160483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2120.160483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2120.160483 (E_RNA) where: Base-Base interactions energy: -1454.705 where: short stacking energy: -609.577 Base-Backbone interact. energy: 0.751 local terms energy: -666.206220 where: bonds (distance) C4'-P energy: -110.693 bonds (distance) P-C4' energy: -124.642 flat angles C4'-P-C4' energy: -148.255 flat angles P-C4'-P energy: -102.404 tors. eta vs tors. theta energy: -180.213 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: 2 ===================================== Write number: 193 Temperature: 1.000000 Total energy: -2089.857633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2089.857633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2089.857633 (E_RNA) where: Base-Base interactions energy: -1389.633 where: short stacking energy: -571.042 Base-Backbone interact. energy: -1.753 local terms energy: -698.471633 where: bonds (distance) C4'-P energy: -132.464 bonds (distance) P-C4' energy: -136.830 flat angles C4'-P-C4' energy: -146.024 flat angles P-C4'-P energy: -98.235 tors. eta vs tors. theta energy: -184.919 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 193 Temperature: 1.050000 Total energy: -1857.860208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1857.860208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1857.860208 (E_RNA) where: Base-Base interactions energy: -1266.037 where: short stacking energy: -517.652 Base-Backbone interact. energy: -0.725 local terms energy: -591.098671 where: bonds (distance) C4'-P energy: -111.769 bonds (distance) P-C4' energy: -112.842 flat angles C4'-P-C4' energy: -133.035 flat angles P-C4'-P energy: -88.955 tors. eta vs tors. theta energy: -144.497 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 193 Temperature: 1.100000 Total energy: -1778.843081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1778.843081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1778.843081 (E_RNA) where: Base-Base interactions energy: -1192.474 where: short stacking energy: -510.562 Base-Backbone interact. energy: -1.845 local terms energy: -584.523661 where: bonds (distance) C4'-P energy: -105.321 bonds (distance) P-C4' energy: -122.121 flat angles C4'-P-C4' energy: -136.001 flat angles P-C4'-P energy: -73.461 tors. eta vs tors. theta energy: -147.620 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: 6, replica: 7 ===================================== Write number: 193 Temperature: 1.150000 Total energy: -1594.311239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1594.311239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1594.311239 (E_RNA) where: Base-Base interactions energy: -1083.479 where: short stacking energy: -448.310 Base-Backbone interact. energy: -4.420 local terms energy: -506.412145 where: bonds (distance) C4'-P energy: -97.956 bonds (distance) P-C4' energy: -109.219 flat angles C4'-P-C4' energy: -114.851 flat angles P-C4'-P energy: -75.130 tors. eta vs tors. theta energy: -109.255 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 193 Temperature: 1.200000 Total energy: -1150.763338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1150.763338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1150.763338 (E_RNA) where: Base-Base interactions energy: -661.807 where: short stacking energy: -328.498 Base-Backbone interact. energy: 2.243 local terms energy: -491.199725 where: bonds (distance) C4'-P energy: -94.971 bonds (distance) P-C4' energy: -147.314 flat angles C4'-P-C4' energy: -123.827 flat angles P-C4'-P energy: -63.392 tors. eta vs tors. theta energy: -61.696 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 193 Temperature: 1.250000 Total energy: -928.364742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -928.364742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -928.364742 (E_RNA) where: Base-Base interactions energy: -476.494 where: short stacking energy: -268.649 Base-Backbone interact. energy: -0.851 local terms energy: -451.019804 where: bonds (distance) C4'-P energy: -107.215 bonds (distance) P-C4' energy: -117.929 flat angles C4'-P-C4' energy: -119.283 flat angles P-C4'-P energy: -67.947 tors. eta vs tors. theta energy: -38.647 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 193 Temperature: 1.300000 Total energy: -666.742592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -666.742592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -666.742592 (E_RNA) where: Base-Base interactions energy: -308.776 where: short stacking energy: -181.284 Base-Backbone interact. energy: -2.295 local terms energy: -355.671658 where: bonds (distance) C4'-P energy: -101.415 bonds (distance) P-C4' energy: -109.918 flat angles C4'-P-C4' energy: -97.960 flat angles P-C4'-P energy: -60.700 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: 10, replica: 9 ===================================== Write number: 193 Temperature: 1.350000 Total energy: -491.485699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -491.485699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -491.485699 (E_RNA) where: Base-Base interactions energy: -183.251 where: short stacking energy: -143.529 Base-Backbone interact. energy: 2.452 local terms energy: -310.686673 where: bonds (distance) C4'-P energy: -89.302 bonds (distance) P-C4' energy: -113.178 flat angles C4'-P-C4' energy: -86.027 flat angles P-C4'-P energy: -45.901 tors. eta vs tors. theta energy: 23.721 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 194 Temperature: 0.900000 Total energy: -2199.978471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2199.978471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2199.978471 (E_RNA) where: Base-Base interactions energy: -1487.695 where: short stacking energy: -618.354 Base-Backbone interact. energy: -1.745 local terms energy: -710.538961 where: bonds (distance) C4'-P energy: -127.085 bonds (distance) P-C4' energy: -133.500 flat angles C4'-P-C4' energy: -153.067 flat angles P-C4'-P energy: -100.532 tors. eta vs tors. theta energy: -196.356 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 194 Temperature: 0.950000 Total energy: -2107.974652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2107.974652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2107.974652 (E_RNA) where: Base-Base interactions energy: -1448.201 where: short stacking energy: -596.013 Base-Backbone interact. energy: -2.337 local terms energy: -657.436438 where: bonds (distance) C4'-P energy: -137.035 bonds (distance) P-C4' energy: -125.645 flat angles C4'-P-C4' energy: -138.760 flat angles P-C4'-P energy: -81.877 tors. eta vs tors. theta energy: -174.119 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: 2 ===================================== Write number: 194 Temperature: 1.000000 Total energy: -2117.021465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2117.021465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2117.021465 (E_RNA) where: Base-Base interactions energy: -1474.742 where: short stacking energy: -602.177 Base-Backbone interact. energy: 0.969 local terms energy: -643.248637 where: bonds (distance) C4'-P energy: -105.042 bonds (distance) P-C4' energy: -109.677 flat angles C4'-P-C4' energy: -150.781 flat angles P-C4'-P energy: -88.256 tors. eta vs tors. theta energy: -189.492 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: 4, replica: 6 ===================================== Write number: 194 Temperature: 1.050000 Total energy: -1866.369196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1866.369196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1866.369196 (E_RNA) where: Base-Base interactions energy: -1272.697 where: short stacking energy: -504.060 Base-Backbone interact. energy: -1.386 local terms energy: -592.286395 where: bonds (distance) C4'-P energy: -114.469 bonds (distance) P-C4' energy: -119.056 flat angles C4'-P-C4' energy: -129.604 flat angles P-C4'-P energy: -76.711 tors. eta vs tors. theta energy: -152.447 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: 194 Temperature: 1.100000 Total energy: -1788.572527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1788.572527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1788.572527 (E_RNA) where: Base-Base interactions energy: -1189.419 where: short stacking energy: -499.767 Base-Backbone interact. energy: 3.680 local terms energy: -602.832698 where: bonds (distance) C4'-P energy: -131.288 bonds (distance) P-C4' energy: -126.196 flat angles C4'-P-C4' energy: -137.274 flat angles P-C4'-P energy: -63.273 tors. eta vs tors. theta energy: -144.802 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 194 Temperature: 1.150000 Total energy: -1610.553445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1610.553445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1610.553445 (E_RNA) where: Base-Base interactions energy: -1028.946 where: short stacking energy: -445.948 Base-Backbone interact. energy: -0.742 local terms energy: -580.865036 where: bonds (distance) C4'-P energy: -112.710 bonds (distance) P-C4' energy: -122.354 flat angles C4'-P-C4' energy: -136.665 flat angles P-C4'-P energy: -80.885 tors. eta vs tors. theta energy: -128.251 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: 1 ===================================== Write number: 194 Temperature: 1.200000 Total energy: -1180.110214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1180.110214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1180.110214 (E_RNA) where: Base-Base interactions energy: -679.419 where: short stacking energy: -337.005 Base-Backbone interact. energy: 2.528 local terms energy: -503.219663 where: bonds (distance) C4'-P energy: -115.858 bonds (distance) P-C4' energy: -122.822 flat angles C4'-P-C4' energy: -113.271 flat angles P-C4'-P energy: -74.322 tors. eta vs tors. theta energy: -76.947 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: 3 ===================================== Write number: 194 Temperature: 1.250000 Total energy: -913.747012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -913.747012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -913.747012 (E_RNA) where: Base-Base interactions energy: -488.775 where: short stacking energy: -269.188 Base-Backbone interact. energy: 2.345 local terms energy: -427.316990 where: bonds (distance) C4'-P energy: -121.954 bonds (distance) P-C4' energy: -118.017 flat angles C4'-P-C4' energy: -105.834 flat angles P-C4'-P energy: -51.737 tors. eta vs tors. theta energy: -29.774 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 194 Temperature: 1.300000 Total energy: -688.042178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -688.042178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -688.042178 (E_RNA) where: Base-Base interactions energy: -338.117 where: short stacking energy: -182.718 Base-Backbone interact. energy: 4.320 local terms energy: -354.244949 where: bonds (distance) C4'-P energy: -133.205 bonds (distance) P-C4' energy: -107.599 flat angles C4'-P-C4' energy: -79.396 flat angles P-C4'-P energy: -38.988 tors. eta vs tors. theta energy: 4.943 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 194 Temperature: 1.350000 Total energy: -499.201206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -499.201206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -499.201206 (E_RNA) where: Base-Base interactions energy: -174.215 where: short stacking energy: -109.189 Base-Backbone interact. energy: 4.283 local terms energy: -329.268903 where: bonds (distance) C4'-P energy: -115.259 bonds (distance) P-C4' energy: -126.932 flat angles C4'-P-C4' energy: -85.803 flat angles P-C4'-P energy: -37.703 tors. eta vs tors. theta energy: 36.429 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: 1, replica: 5 ===================================== Write number: 195 Temperature: 0.900000 Total energy: -2175.055601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2175.055601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2175.055601 (E_RNA) where: Base-Base interactions energy: -1450.553 where: short stacking energy: -633.634 Base-Backbone interact. energy: -4.547 local terms energy: -719.955478 where: bonds (distance) C4'-P energy: -127.699 bonds (distance) P-C4' energy: -140.781 flat angles C4'-P-C4' energy: -162.085 flat angles P-C4'-P energy: -104.817 tors. eta vs tors. theta energy: -184.573 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: 2, replica: 2 ===================================== Write number: 195 Temperature: 0.950000 Total energy: -2141.930283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2141.930283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2141.930283 (E_RNA) where: Base-Base interactions energy: -1432.812 where: short stacking energy: -598.359 Base-Backbone interact. energy: -3.577 local terms energy: -705.540681 where: bonds (distance) C4'-P energy: -135.100 bonds (distance) P-C4' energy: -139.132 flat angles C4'-P-C4' energy: -144.508 flat angles P-C4'-P energy: -89.899 tors. eta vs tors. theta energy: -196.902 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 195 Temperature: 1.000000 Total energy: -2070.562279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2070.562279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2070.562279 (E_RNA) where: Base-Base interactions energy: -1412.298 where: short stacking energy: -554.372 Base-Backbone interact. energy: -3.409 local terms energy: -654.855736 where: bonds (distance) C4'-P energy: -115.391 bonds (distance) P-C4' energy: -133.781 flat angles C4'-P-C4' energy: -145.306 flat angles P-C4'-P energy: -89.296 tors. eta vs tors. theta energy: -171.082 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 195 Temperature: 1.050000 Total energy: -1870.618725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1870.618725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1870.618725 (E_RNA) where: Base-Base interactions energy: -1250.312 where: short stacking energy: -499.354 Base-Backbone interact. energy: 1.368 local terms energy: -621.674004 where: bonds (distance) C4'-P energy: -132.776 bonds (distance) P-C4' energy: -127.567 flat angles C4'-P-C4' energy: -128.306 flat angles P-C4'-P energy: -89.131 tors. eta vs tors. theta energy: -143.894 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 195 Temperature: 1.100000 Total energy: -1856.316746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1856.316746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1856.316746 (E_RNA) where: Base-Base interactions energy: -1255.642 where: short stacking energy: -510.676 Base-Backbone interact. energy: 1.179 local terms energy: -601.853246 where: bonds (distance) C4'-P energy: -124.573 bonds (distance) P-C4' energy: -113.595 flat angles C4'-P-C4' energy: -137.474 flat angles P-C4'-P energy: -81.598 tors. eta vs tors. theta energy: -144.613 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: 7 ===================================== Write number: 195 Temperature: 1.150000 Total energy: -1603.390275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1603.390275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1603.390275 (E_RNA) where: Base-Base interactions energy: -1058.028 where: short stacking energy: -442.066 Base-Backbone interact. energy: -1.530 local terms energy: -543.832435 where: bonds (distance) C4'-P energy: -93.878 bonds (distance) P-C4' energy: -117.696 flat angles C4'-P-C4' energy: -126.486 flat angles P-C4'-P energy: -79.773 tors. eta vs tors. theta energy: -125.999 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 195 Temperature: 1.200000 Total energy: -1145.089310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1145.089310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1145.089310 (E_RNA) where: Base-Base interactions energy: -662.025 where: short stacking energy: -296.504 Base-Backbone interact. energy: 3.346 local terms energy: -486.410399 where: bonds (distance) C4'-P energy: -120.743 bonds (distance) P-C4' energy: -123.830 flat angles C4'-P-C4' energy: -111.568 flat angles P-C4'-P energy: -66.079 tors. eta vs tors. theta energy: -64.190 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 195 Temperature: 1.250000 Total energy: -807.984102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -807.984102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -807.984102 (E_RNA) where: Base-Base interactions energy: -407.423 where: short stacking energy: -229.860 Base-Backbone interact. energy: 4.290 local terms energy: -404.850702 where: bonds (distance) C4'-P energy: -105.423 bonds (distance) P-C4' energy: -119.040 flat angles C4'-P-C4' energy: -105.574 flat angles P-C4'-P energy: -61.518 tors. eta vs tors. theta energy: -13.296 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 195 Temperature: 1.300000 Total energy: -641.796385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -641.796385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -641.796385 (E_RNA) where: Base-Base interactions energy: -279.442 where: short stacking energy: -169.140 Base-Backbone interact. energy: -2.061 local terms energy: -360.293365 where: bonds (distance) C4'-P energy: -108.183 bonds (distance) P-C4' energy: -120.313 flat angles C4'-P-C4' energy: -98.061 flat angles P-C4'-P energy: -61.093 tors. eta vs tors. theta energy: 27.357 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 195 Temperature: 1.350000 Total energy: -506.482366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -506.482366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -506.482366 (E_RNA) where: Base-Base interactions energy: -166.399 where: short stacking energy: -118.655 Base-Backbone interact. energy: -2.336 local terms energy: -337.747615 where: bonds (distance) C4'-P energy: -105.220 bonds (distance) P-C4' energy: -95.535 flat angles C4'-P-C4' energy: -112.972 flat angles P-C4'-P energy: -55.519 tors. eta vs tors. theta energy: 31.499 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 196 Temperature: 0.900000 Total energy: -2203.626728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2203.626728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2203.626728 (E_RNA) where: Base-Base interactions energy: -1477.263 where: short stacking energy: -634.047 Base-Backbone interact. energy: -4.552 local terms energy: -721.811470 where: bonds (distance) C4'-P energy: -121.169 bonds (distance) P-C4' energy: -147.043 flat angles C4'-P-C4' energy: -153.600 flat angles P-C4'-P energy: -104.368 tors. eta vs tors. theta energy: -195.632 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 196 Temperature: 0.950000 Total energy: -2168.578222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2168.578222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2168.578222 (E_RNA) where: Base-Base interactions energy: -1446.061 where: short stacking energy: -632.395 Base-Backbone interact. energy: -0.326 local terms energy: -722.190629 where: bonds (distance) C4'-P energy: -115.156 bonds (distance) P-C4' energy: -144.073 flat angles C4'-P-C4' energy: -151.538 flat angles P-C4'-P energy: -103.402 tors. eta vs tors. theta energy: -208.021 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: 10 ===================================== Write number: 196 Temperature: 1.000000 Total energy: -2076.667828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2076.667828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2076.667828 (E_RNA) where: Base-Base interactions energy: -1412.073 where: short stacking energy: -594.251 Base-Backbone interact. energy: 1.480 local terms energy: -666.074595 where: bonds (distance) C4'-P energy: -128.323 bonds (distance) P-C4' energy: -134.190 flat angles C4'-P-C4' energy: -136.145 flat angles P-C4'-P energy: -87.370 tors. eta vs tors. theta energy: -180.048 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 196 Temperature: 1.050000 Total energy: -1915.348876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1915.348876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1915.348876 (E_RNA) where: Base-Base interactions energy: -1288.164 where: short stacking energy: -512.025 Base-Backbone interact. energy: -7.182 local terms energy: -620.002832 where: bonds (distance) C4'-P energy: -124.047 bonds (distance) P-C4' energy: -125.348 flat angles C4'-P-C4' energy: -130.501 flat angles P-C4'-P energy: -92.604 tors. eta vs tors. theta energy: -147.503 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 196 Temperature: 1.100000 Total energy: -1846.030463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1846.030463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1846.030463 (E_RNA) where: Base-Base interactions energy: -1240.670 where: short stacking energy: -532.135 Base-Backbone interact. energy: 4.565 local terms energy: -609.925365 where: bonds (distance) C4'-P energy: -112.276 bonds (distance) P-C4' energy: -116.939 flat angles C4'-P-C4' energy: -137.355 flat angles P-C4'-P energy: -87.005 tors. eta vs tors. theta energy: -156.351 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: 6, replica: 7 ===================================== Write number: 196 Temperature: 1.150000 Total energy: -1602.975917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1602.975917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1602.975917 (E_RNA) where: Base-Base interactions energy: -1048.868 where: short stacking energy: -424.602 Base-Backbone interact. energy: 3.886 local terms energy: -557.994165 where: bonds (distance) C4'-P energy: -113.201 bonds (distance) P-C4' energy: -127.295 flat angles C4'-P-C4' energy: -133.564 flat angles P-C4'-P energy: -72.877 tors. eta vs tors. theta energy: -111.056 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 196 Temperature: 1.200000 Total energy: -1164.704591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1164.704591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1164.704591 (E_RNA) where: Base-Base interactions energy: -699.925 where: short stacking energy: -297.514 Base-Backbone interact. energy: -0.929 local terms energy: -463.850021 where: bonds (distance) C4'-P energy: -108.714 bonds (distance) P-C4' energy: -135.417 flat angles C4'-P-C4' energy: -101.332 flat angles P-C4'-P energy: -58.396 tors. eta vs tors. theta energy: -59.990 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: 3 ===================================== Write number: 196 Temperature: 1.250000 Total energy: -752.256298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -752.256298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -752.256298 (E_RNA) where: Base-Base interactions energy: -349.090 where: short stacking energy: -201.750 Base-Backbone interact. energy: 2.450 local terms energy: -405.615757 where: bonds (distance) C4'-P energy: -114.596 bonds (distance) P-C4' energy: -110.880 flat angles C4'-P-C4' energy: -96.903 flat angles P-C4'-P energy: -55.777 tors. eta vs tors. theta energy: -27.459 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: 196 Temperature: 1.300000 Total energy: -642.478077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -642.478077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -642.478077 (E_RNA) where: Base-Base interactions energy: -326.126 where: short stacking energy: -182.014 Base-Backbone interact. energy: -2.558 local terms energy: -313.793847 where: bonds (distance) C4'-P energy: -84.894 bonds (distance) P-C4' energy: -117.428 flat angles C4'-P-C4' energy: -71.650 flat angles P-C4'-P energy: -53.225 tors. eta vs tors. theta energy: 13.403 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 196 Temperature: 1.350000 Total energy: -486.685653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -486.685653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -486.685653 (E_RNA) where: Base-Base interactions energy: -151.446 where: short stacking energy: -107.181 Base-Backbone interact. energy: 3.687 local terms energy: -338.927057 where: bonds (distance) C4'-P energy: -108.604 bonds (distance) P-C4' energy: -108.056 flat angles C4'-P-C4' energy: -102.798 flat angles P-C4'-P energy: -48.371 tors. eta vs tors. theta energy: 28.903 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 197 Temperature: 0.900000 Total energy: -2204.092493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2204.092493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2204.092493 (E_RNA) where: Base-Base interactions energy: -1492.401 where: short stacking energy: -616.358 Base-Backbone interact. energy: 1.070 local terms energy: -712.761413 where: bonds (distance) C4'-P energy: -136.279 bonds (distance) P-C4' energy: -142.010 flat angles C4'-P-C4' energy: -150.389 flat angles P-C4'-P energy: -95.958 tors. eta vs tors. theta energy: -188.125 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 197 Temperature: 0.950000 Total energy: -2154.319452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2154.319452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2154.319452 (E_RNA) where: Base-Base interactions energy: -1446.895 where: short stacking energy: -625.368 Base-Backbone interact. energy: 1.307 local terms energy: -708.731442 where: bonds (distance) C4'-P energy: -115.915 bonds (distance) P-C4' energy: -143.552 flat angles C4'-P-C4' energy: -146.800 flat angles P-C4'-P energy: -90.567 tors. eta vs tors. theta energy: -211.897 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 197 Temperature: 1.000000 Total energy: -2062.081668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2062.081668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2062.081668 (E_RNA) where: Base-Base interactions energy: -1404.111 where: short stacking energy: -574.855 Base-Backbone interact. energy: -0.336 local terms energy: -657.634858 where: bonds (distance) C4'-P energy: -125.043 bonds (distance) P-C4' energy: -128.448 flat angles C4'-P-C4' energy: -131.842 flat angles P-C4'-P energy: -91.647 tors. eta vs tors. theta energy: -180.654 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 197 Temperature: 1.050000 Total energy: -1929.681511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1929.681511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1929.681511 (E_RNA) where: Base-Base interactions energy: -1270.639 where: short stacking energy: -538.226 Base-Backbone interact. energy: -0.034 local terms energy: -659.008262 where: bonds (distance) C4'-P energy: -124.562 bonds (distance) P-C4' energy: -140.439 flat angles C4'-P-C4' energy: -137.189 flat angles P-C4'-P energy: -86.561 tors. eta vs tors. theta energy: -170.257 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: 8 ===================================== Write number: 197 Temperature: 1.100000 Total energy: -1832.117743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1832.117743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1832.117743 (E_RNA) where: Base-Base interactions energy: -1203.601 where: short stacking energy: -498.886 Base-Backbone interact. energy: -2.340 local terms energy: -626.177584 where: bonds (distance) C4'-P energy: -116.097 bonds (distance) P-C4' energy: -135.322 flat angles C4'-P-C4' energy: -129.872 flat angles P-C4'-P energy: -87.833 tors. eta vs tors. theta energy: -157.052 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 197 Temperature: 1.150000 Total energy: -1591.218572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1591.218572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1591.218572 (E_RNA) where: Base-Base interactions energy: -1053.849 where: short stacking energy: -444.010 Base-Backbone interact. energy: -3.343 local terms energy: -534.027010 where: bonds (distance) C4'-P energy: -98.152 bonds (distance) P-C4' energy: -114.966 flat angles C4'-P-C4' energy: -129.745 flat angles P-C4'-P energy: -84.174 tors. eta vs tors. theta energy: -106.990 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: 1 ===================================== Write number: 197 Temperature: 1.200000 Total energy: -1136.344541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1136.344541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1136.344541 (E_RNA) where: Base-Base interactions energy: -638.517 where: short stacking energy: -320.993 Base-Backbone interact. energy: -2.752 local terms energy: -495.075741 where: bonds (distance) C4'-P energy: -117.369 bonds (distance) P-C4' energy: -113.824 flat angles C4'-P-C4' energy: -122.056 flat angles P-C4'-P energy: -72.595 tors. eta vs tors. theta energy: -69.233 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: 3 ===================================== Write number: 197 Temperature: 1.250000 Total energy: -772.574519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -772.574519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -772.574519 (E_RNA) where: Base-Base interactions energy: -380.698 where: short stacking energy: -213.157 Base-Backbone interact. energy: 0.337 local terms energy: -392.213518 where: bonds (distance) C4'-P energy: -97.302 bonds (distance) P-C4' energy: -122.616 flat angles C4'-P-C4' energy: -86.683 flat angles P-C4'-P energy: -63.102 tors. eta vs tors. theta energy: -22.511 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: 197 Temperature: 1.300000 Total energy: -577.839275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -577.839275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -577.839275 (E_RNA) where: Base-Base interactions energy: -227.202 where: short stacking energy: -138.862 Base-Backbone interact. energy: -6.008 local terms energy: -344.629356 where: bonds (distance) C4'-P energy: -119.773 bonds (distance) P-C4' energy: -120.387 flat angles C4'-P-C4' energy: -87.525 flat angles P-C4'-P energy: -49.556 tors. eta vs tors. theta energy: 32.612 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 197 Temperature: 1.350000 Total energy: -509.486991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -509.486991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -509.486991 (E_RNA) where: Base-Base interactions energy: -198.073 where: short stacking energy: -111.566 Base-Backbone interact. energy: 5.103 local terms energy: -316.516739 where: bonds (distance) C4'-P energy: -101.221 bonds (distance) P-C4' energy: -105.716 flat angles C4'-P-C4' energy: -87.363 flat angles P-C4'-P energy: -60.708 tors. eta vs tors. theta energy: 38.491 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: 5 ===================================== Write number: 198 Temperature: 0.900000 Total energy: -2198.449512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2198.449512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2198.449512 (E_RNA) where: Base-Base interactions energy: -1494.101 where: short stacking energy: -632.900 Base-Backbone interact. energy: -1.408 local terms energy: -702.940911 where: bonds (distance) C4'-P energy: -130.776 bonds (distance) P-C4' energy: -136.559 flat angles C4'-P-C4' energy: -151.618 flat angles P-C4'-P energy: -91.309 tors. eta vs tors. theta energy: -192.678 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: 2 ===================================== Write number: 198 Temperature: 0.950000 Total energy: -2157.779019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2157.779019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2157.779019 (E_RNA) where: Base-Base interactions energy: -1432.146 where: short stacking energy: -627.697 Base-Backbone interact. energy: -3.982 local terms energy: -721.650918 where: bonds (distance) C4'-P energy: -128.232 bonds (distance) P-C4' energy: -135.542 flat angles C4'-P-C4' energy: -147.096 flat angles P-C4'-P energy: -101.985 tors. eta vs tors. theta energy: -208.795 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 198 Temperature: 1.000000 Total energy: -2069.540283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2069.540283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2069.540283 (E_RNA) where: Base-Base interactions energy: -1402.168 where: short stacking energy: -572.599 Base-Backbone interact. energy: -0.448 local terms energy: -666.923758 where: bonds (distance) C4'-P energy: -132.483 bonds (distance) P-C4' energy: -125.644 flat angles C4'-P-C4' energy: -154.237 flat angles P-C4'-P energy: -86.521 tors. eta vs tors. theta energy: -168.040 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: 6 ===================================== Write number: 198 Temperature: 1.050000 Total energy: -1940.212835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1940.212835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1940.212835 (E_RNA) where: Base-Base interactions energy: -1305.377 where: short stacking energy: -540.501 Base-Backbone interact. energy: -2.756 local terms energy: -632.079886 where: bonds (distance) C4'-P energy: -135.683 bonds (distance) P-C4' energy: -125.663 flat angles C4'-P-C4' energy: -126.759 flat angles P-C4'-P energy: -81.684 tors. eta vs tors. theta energy: -162.291 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: 8 ===================================== Write number: 198 Temperature: 1.100000 Total energy: -1846.792548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1846.792548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1846.792548 (E_RNA) where: Base-Base interactions energy: -1200.126 where: short stacking energy: -504.470 Base-Backbone interact. energy: -1.547 local terms energy: -645.119761 where: bonds (distance) C4'-P energy: -122.269 bonds (distance) P-C4' energy: -136.644 flat angles C4'-P-C4' energy: -138.137 flat angles P-C4'-P energy: -81.232 tors. eta vs tors. theta energy: -166.838 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 198 Temperature: 1.150000 Total energy: -1655.457564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1655.457564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1655.457564 (E_RNA) where: Base-Base interactions energy: -1082.073 where: short stacking energy: -439.736 Base-Backbone interact. energy: -2.977 local terms energy: -570.407414 where: bonds (distance) C4'-P energy: -121.518 bonds (distance) P-C4' energy: -129.501 flat angles C4'-P-C4' energy: -120.943 flat angles P-C4'-P energy: -79.063 tors. eta vs tors. theta energy: -119.382 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: 1 ===================================== Write number: 198 Temperature: 1.200000 Total energy: -1135.075837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1135.075837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1135.075837 (E_RNA) where: Base-Base interactions energy: -665.716 where: short stacking energy: -329.431 Base-Backbone interact. energy: -5.013 local terms energy: -464.347334 where: bonds (distance) C4'-P energy: -110.484 bonds (distance) P-C4' energy: -103.289 flat angles C4'-P-C4' energy: -110.956 flat angles P-C4'-P energy: -78.992 tors. eta vs tors. theta energy: -60.627 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 198 Temperature: 1.250000 Total energy: -786.135200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -786.135200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -786.135200 (E_RNA) where: Base-Base interactions energy: -373.669 where: short stacking energy: -236.003 Base-Backbone interact. energy: 1.609 local terms energy: -414.075627 where: bonds (distance) C4'-P energy: -110.319 bonds (distance) P-C4' energy: -108.963 flat angles C4'-P-C4' energy: -103.901 flat angles P-C4'-P energy: -72.549 tors. eta vs tors. theta energy: -18.343 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: 4 ===================================== Write number: 198 Temperature: 1.300000 Total energy: -521.865318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -521.865318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -521.865318 (E_RNA) where: Base-Base interactions energy: -181.930 where: short stacking energy: -127.231 Base-Backbone interact. energy: -1.369 local terms energy: -338.565550 where: bonds (distance) C4'-P energy: -104.939 bonds (distance) P-C4' energy: -124.295 flat angles C4'-P-C4' energy: -86.057 flat angles P-C4'-P energy: -58.452 tors. eta vs tors. theta energy: 35.178 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: 9 ===================================== Write number: 198 Temperature: 1.350000 Total energy: -521.938301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -521.938301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -521.938301 (E_RNA) where: Base-Base interactions energy: -211.066 where: short stacking energy: -153.765 Base-Backbone interact. energy: 2.577 local terms energy: -313.448566 where: bonds (distance) C4'-P energy: -104.166 bonds (distance) P-C4' energy: -106.931 flat angles C4'-P-C4' energy: -94.187 flat angles P-C4'-P energy: -38.997 tors. eta vs tors. theta energy: 30.831 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: 1, replica: 5 ===================================== Write number: 199 Temperature: 0.900000 Total energy: -2209.020525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2209.020525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2209.020525 (E_RNA) where: Base-Base interactions energy: -1493.886 where: short stacking energy: -634.948 Base-Backbone interact. energy: -5.388 local terms energy: -709.746691 where: bonds (distance) C4'-P energy: -142.879 bonds (distance) P-C4' energy: -125.960 flat angles C4'-P-C4' energy: -146.702 flat angles P-C4'-P energy: -97.956 tors. eta vs tors. theta energy: -196.250 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 199 Temperature: 0.950000 Total energy: -2169.251312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2169.251312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2169.251312 (E_RNA) where: Base-Base interactions energy: -1463.783 where: short stacking energy: -598.876 Base-Backbone interact. energy: -3.378 local terms energy: -702.091180 where: bonds (distance) C4'-P energy: -129.070 bonds (distance) P-C4' energy: -125.109 flat angles C4'-P-C4' energy: -145.389 flat angles P-C4'-P energy: -101.534 tors. eta vs tors. theta energy: -200.989 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: 3, replica: 10 ===================================== Write number: 199 Temperature: 1.000000 Total energy: -2069.477163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2069.477163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2069.477163 (E_RNA) where: Base-Base interactions energy: -1400.381 where: short stacking energy: -554.207 Base-Backbone interact. energy: -4.248 local terms energy: -664.847953 where: bonds (distance) C4'-P energy: -114.510 bonds (distance) P-C4' energy: -125.759 flat angles C4'-P-C4' energy: -144.262 flat angles P-C4'-P energy: -99.991 tors. eta vs tors. theta energy: -180.325 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 199 Temperature: 1.050000 Total energy: -1875.843031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1875.843031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1875.843031 (E_RNA) where: Base-Base interactions energy: -1271.153 where: short stacking energy: -545.916 Base-Backbone interact. energy: -1.893 local terms energy: -602.797760 where: bonds (distance) C4'-P energy: -112.715 bonds (distance) P-C4' energy: -124.249 flat angles C4'-P-C4' energy: -121.789 flat angles P-C4'-P energy: -86.359 tors. eta vs tors. theta energy: -157.686 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 199 Temperature: 1.100000 Total energy: -1859.244634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1859.244634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1859.244634 (E_RNA) where: Base-Base interactions energy: -1245.846 where: short stacking energy: -537.120 Base-Backbone interact. energy: -3.846 local terms energy: -609.553404 where: bonds (distance) C4'-P energy: -115.800 bonds (distance) P-C4' energy: -112.813 flat angles C4'-P-C4' energy: -132.826 flat angles P-C4'-P energy: -80.358 tors. eta vs tors. theta energy: -167.756 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 199 Temperature: 1.150000 Total energy: -1652.213645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1652.213645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1652.213645 (E_RNA) where: Base-Base interactions energy: -1089.273 where: short stacking energy: -437.683 Base-Backbone interact. energy: 1.747 local terms energy: -564.687117 where: bonds (distance) C4'-P energy: -112.523 bonds (distance) P-C4' energy: -121.065 flat angles C4'-P-C4' energy: -129.626 flat angles P-C4'-P energy: -70.175 tors. eta vs tors. theta energy: -131.297 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: 1 ===================================== Write number: 199 Temperature: 1.200000 Total energy: -1189.854759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1189.854759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1189.854759 (E_RNA) where: Base-Base interactions energy: -727.290 where: short stacking energy: -345.392 Base-Backbone interact. energy: 0.839 local terms energy: -463.404078 where: bonds (distance) C4'-P energy: -114.381 bonds (distance) P-C4' energy: -112.032 flat angles C4'-P-C4' energy: -117.173 flat angles P-C4'-P energy: -53.628 tors. eta vs tors. theta energy: -66.189 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 199 Temperature: 1.250000 Total energy: -775.636037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -775.636037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -775.636037 (E_RNA) where: Base-Base interactions energy: -387.391 where: short stacking energy: -241.275 Base-Backbone interact. energy: 2.631 local terms energy: -390.875854 where: bonds (distance) C4'-P energy: -108.525 bonds (distance) P-C4' energy: -106.294 flat angles C4'-P-C4' energy: -105.533 flat angles P-C4'-P energy: -52.747 tors. eta vs tors. theta energy: -17.776 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 199 Temperature: 1.300000 Total energy: -519.241018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -519.241018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -519.241018 (E_RNA) where: Base-Base interactions energy: -199.466 where: short stacking energy: -129.613 Base-Backbone interact. energy: 4.743 local terms energy: -324.518012 where: bonds (distance) C4'-P energy: -92.365 bonds (distance) P-C4' energy: -112.340 flat angles C4'-P-C4' energy: -100.729 flat angles P-C4'-P energy: -53.517 tors. eta vs tors. theta energy: 34.433 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: 10, replica: 9 ===================================== Write number: 199 Temperature: 1.350000 Total energy: -493.864801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -493.864801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -493.864801 (E_RNA) where: Base-Base interactions energy: -173.283 where: short stacking energy: -132.749 Base-Backbone interact. energy: -2.053 local terms energy: -318.529274 where: bonds (distance) C4'-P energy: -99.672 bonds (distance) P-C4' energy: -113.620 flat angles C4'-P-C4' energy: -92.303 flat angles P-C4'-P energy: -35.200 tors. eta vs tors. theta energy: 22.265 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: 2 ===================================== Write number: 200 Temperature: 0.900000 Total energy: -2201.352525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2201.352525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2201.352525 (E_RNA) where: Base-Base interactions energy: -1494.055 where: short stacking energy: -610.260 Base-Backbone interact. energy: -1.355 local terms energy: -705.943182 where: bonds (distance) C4'-P energy: -127.625 bonds (distance) P-C4' energy: -143.491 flat angles C4'-P-C4' energy: -139.043 flat angles P-C4'-P energy: -97.330 tors. eta vs tors. theta energy: -198.455 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 200 Temperature: 0.950000 Total energy: -2156.005754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2156.005754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2156.005754 (E_RNA) where: Base-Base interactions energy: -1466.480 where: short stacking energy: -627.074 Base-Backbone interact. energy: -1.443 local terms energy: -688.083227 where: bonds (distance) C4'-P energy: -124.524 bonds (distance) P-C4' energy: -118.250 flat angles C4'-P-C4' energy: -149.245 flat angles P-C4'-P energy: -103.603 tors. eta vs tors. theta energy: -192.462 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 200 Temperature: 1.000000 Total energy: -2022.795295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2022.795295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2022.795295 (E_RNA) where: Base-Base interactions energy: -1376.072 where: short stacking energy: -561.849 Base-Backbone interact. energy: -4.936 local terms energy: -641.787768 where: bonds (distance) C4'-P energy: -97.622 bonds (distance) P-C4' energy: -134.763 flat angles C4'-P-C4' energy: -144.267 flat angles P-C4'-P energy: -88.504 tors. eta vs tors. theta energy: -176.631 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 200 Temperature: 1.050000 Total energy: -1873.677134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1873.677134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1873.677134 (E_RNA) where: Base-Base interactions energy: -1253.963 where: short stacking energy: -519.946 Base-Backbone interact. energy: 0.949 local terms energy: -620.663176 where: bonds (distance) C4'-P energy: -126.997 bonds (distance) P-C4' energy: -136.844 flat angles C4'-P-C4' energy: -130.784 flat angles P-C4'-P energy: -76.122 tors. eta vs tors. theta energy: -149.916 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: 6 ===================================== Write number: 200 Temperature: 1.100000 Total energy: -1801.887844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1801.887844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1801.887844 (E_RNA) where: Base-Base interactions energy: -1211.979 where: short stacking energy: -498.059 Base-Backbone interact. energy: -0.236 local terms energy: -589.672962 where: bonds (distance) C4'-P energy: -118.365 bonds (distance) P-C4' energy: -123.979 flat angles C4'-P-C4' energy: -126.514 flat angles P-C4'-P energy: -90.583 tors. eta vs tors. theta energy: -130.232 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: 200 Temperature: 1.150000 Total energy: -1612.900872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1612.900872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1612.900872 (E_RNA) where: Base-Base interactions energy: -1072.900 where: short stacking energy: -435.719 Base-Backbone interact. energy: 0.122 local terms energy: -540.122844 where: bonds (distance) C4'-P energy: -108.551 bonds (distance) P-C4' energy: -117.552 flat angles C4'-P-C4' energy: -114.392 flat angles P-C4'-P energy: -83.703 tors. eta vs tors. theta energy: -115.925 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 200 Temperature: 1.200000 Total energy: -1168.352931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1168.352931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1168.352931 (E_RNA) where: Base-Base interactions energy: -713.837 where: short stacking energy: -343.240 Base-Backbone interact. energy: -2.653 local terms energy: -451.863468 where: bonds (distance) C4'-P energy: -81.408 bonds (distance) P-C4' energy: -120.977 flat angles C4'-P-C4' energy: -117.720 flat angles P-C4'-P energy: -70.044 tors. eta vs tors. theta energy: -61.714 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: 3 ===================================== Write number: 200 Temperature: 1.250000 Total energy: -747.772756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -747.772756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -747.772756 (E_RNA) where: Base-Base interactions energy: -357.551 where: short stacking energy: -200.615 Base-Backbone interact. energy: -0.038 local terms energy: -390.184091 where: bonds (distance) C4'-P energy: -112.650 bonds (distance) P-C4' energy: -102.611 flat angles C4'-P-C4' energy: -104.764 flat angles P-C4'-P energy: -69.006 tors. eta vs tors. theta energy: -1.153 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 200 Temperature: 1.300000 Total energy: -507.771437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -507.771437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -507.771437 (E_RNA) where: Base-Base interactions energy: -182.314 where: short stacking energy: -145.923 Base-Backbone interact. energy: -2.878 local terms energy: -322.579599 where: bonds (distance) C4'-P energy: -102.108 bonds (distance) P-C4' energy: -100.759 flat angles C4'-P-C4' energy: -100.605 flat angles P-C4'-P energy: -47.117 tors. eta vs tors. theta energy: 28.010 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 200 Temperature: 1.350000 Total energy: -470.013856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -470.013856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -470.013856 (E_RNA) where: Base-Base interactions energy: -172.607 where: short stacking energy: -138.025 Base-Backbone interact. energy: -2.385 local terms energy: -295.021211 where: bonds (distance) C4'-P energy: -91.694 bonds (distance) P-C4' energy: -109.396 flat angles C4'-P-C4' energy: -71.998 flat angles P-C4'-P energy: -58.709 tors. eta vs tors. theta energy: 36.776 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 201 Temperature: 0.900000 Total energy: -2228.227025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2228.227025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2228.227025 (E_RNA) where: Base-Base interactions energy: -1515.378 where: short stacking energy: -629.476 Base-Backbone interact. energy: 1.180 local terms energy: -714.029039 where: bonds (distance) C4'-P energy: -129.678 bonds (distance) P-C4' energy: -140.043 flat angles C4'-P-C4' energy: -144.230 flat angles P-C4'-P energy: -89.523 tors. eta vs tors. theta energy: -210.555 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: 5 ===================================== Write number: 201 Temperature: 0.950000 Total energy: -2145.823690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2145.823690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2145.823690 (E_RNA) where: Base-Base interactions energy: -1447.181 where: short stacking energy: -611.987 Base-Backbone interact. energy: -1.987 local terms energy: -696.656167 where: bonds (distance) C4'-P energy: -121.760 bonds (distance) P-C4' energy: -140.450 flat angles C4'-P-C4' energy: -157.348 flat angles P-C4'-P energy: -91.219 tors. eta vs tors. theta energy: -185.879 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 201 Temperature: 1.000000 Total energy: -2033.518537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2033.518537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2033.518537 (E_RNA) where: Base-Base interactions energy: -1367.045 where: short stacking energy: -548.011 Base-Backbone interact. energy: -1.745 local terms energy: -664.727876 where: bonds (distance) C4'-P energy: -131.390 bonds (distance) P-C4' energy: -131.297 flat angles C4'-P-C4' energy: -145.777 flat angles P-C4'-P energy: -84.209 tors. eta vs tors. theta energy: -172.056 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 201 Temperature: 1.050000 Total energy: -1821.333880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1821.333880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1821.333880 (E_RNA) where: Base-Base interactions energy: -1211.816 where: short stacking energy: -510.235 Base-Backbone interact. energy: -0.074 local terms energy: -609.443437 where: bonds (distance) C4'-P energy: -119.961 bonds (distance) P-C4' energy: -127.529 flat angles C4'-P-C4' energy: -123.148 flat angles P-C4'-P energy: -89.857 tors. eta vs tors. theta energy: -148.948 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: 6 ===================================== Write number: 201 Temperature: 1.100000 Total energy: -1861.949941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1861.949941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1861.949941 (E_RNA) where: Base-Base interactions energy: -1270.579 where: short stacking energy: -517.711 Base-Backbone interact. energy: -5.096 local terms energy: -586.275649 where: bonds (distance) C4'-P energy: -98.613 bonds (distance) P-C4' energy: -122.116 flat angles C4'-P-C4' energy: -129.973 flat angles P-C4'-P energy: -88.177 tors. eta vs tors. theta energy: -147.397 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 201 Temperature: 1.150000 Total energy: -1555.729414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1555.729414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1555.729414 (E_RNA) where: Base-Base interactions energy: -1038.740 where: short stacking energy: -432.609 Base-Backbone interact. energy: 0.888 local terms energy: -517.877357 where: bonds (distance) C4'-P energy: -92.443 bonds (distance) P-C4' energy: -141.781 flat angles C4'-P-C4' energy: -99.211 flat angles P-C4'-P energy: -62.714 tors. eta vs tors. theta energy: -121.729 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: 1 ===================================== Write number: 201 Temperature: 1.200000 Total energy: -1204.278654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1204.278654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1204.278654 (E_RNA) where: Base-Base interactions energy: -741.183 where: short stacking energy: -318.620 Base-Backbone interact. energy: 0.758 local terms energy: -463.853837 where: bonds (distance) C4'-P energy: -126.451 bonds (distance) P-C4' energy: -104.837 flat angles C4'-P-C4' energy: -110.545 flat angles P-C4'-P energy: -56.000 tors. eta vs tors. theta energy: -66.021 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 201 Temperature: 1.250000 Total energy: -785.916130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -785.916130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -785.916130 (E_RNA) where: Base-Base interactions energy: -426.507 where: short stacking energy: -219.228 Base-Backbone interact. energy: 6.419 local terms energy: -365.827581 where: bonds (distance) C4'-P energy: -105.044 bonds (distance) P-C4' energy: -110.799 flat angles C4'-P-C4' energy: -90.688 flat angles P-C4'-P energy: -49.376 tors. eta vs tors. theta energy: -9.920 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 201 Temperature: 1.300000 Total energy: -541.185529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -541.185529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -541.185529 (E_RNA) where: Base-Base interactions energy: -190.995 where: short stacking energy: -116.393 Base-Backbone interact. energy: -2.043 local terms energy: -348.147615 where: bonds (distance) C4'-P energy: -105.450 bonds (distance) P-C4' energy: -113.465 flat angles C4'-P-C4' energy: -99.430 flat angles P-C4'-P energy: -52.963 tors. eta vs tors. theta energy: 23.160 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 201 Temperature: 1.350000 Total energy: -516.121393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -516.121393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -516.121393 (E_RNA) where: Base-Base interactions energy: -188.887 where: short stacking energy: -123.678 Base-Backbone interact. energy: -0.132 local terms energy: -327.102795 where: bonds (distance) C4'-P energy: -102.647 bonds (distance) P-C4' energy: -98.225 flat angles C4'-P-C4' energy: -100.644 flat angles P-C4'-P energy: -55.310 tors. eta vs tors. theta energy: 29.722 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 202 Temperature: 0.900000 Total energy: -2242.649836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2242.649836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2242.649836 (E_RNA) where: Base-Base interactions energy: -1502.338 where: short stacking energy: -652.786 Base-Backbone interact. energy: -1.621 local terms energy: -738.690903 where: bonds (distance) C4'-P energy: -129.514 bonds (distance) P-C4' energy: -132.754 flat angles C4'-P-C4' energy: -169.126 flat angles P-C4'-P energy: -96.980 tors. eta vs tors. theta energy: -210.317 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 202 Temperature: 0.950000 Total energy: -2137.201129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2137.201129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2137.201129 (E_RNA) where: Base-Base interactions energy: -1440.278 where: short stacking energy: -623.490 Base-Backbone interact. energy: 2.627 local terms energy: -699.549605 where: bonds (distance) C4'-P energy: -129.964 bonds (distance) P-C4' energy: -138.581 flat angles C4'-P-C4' energy: -139.203 flat angles P-C4'-P energy: -95.432 tors. eta vs tors. theta energy: -196.369 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: 10 ===================================== Write number: 202 Temperature: 1.000000 Total energy: -2042.701598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2042.701598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2042.701598 (E_RNA) where: Base-Base interactions energy: -1386.963 where: short stacking energy: -556.505 Base-Backbone interact. energy: 1.567 local terms energy: -657.889266 where: bonds (distance) C4'-P energy: -115.078 bonds (distance) P-C4' energy: -132.789 flat angles C4'-P-C4' energy: -142.460 flat angles P-C4'-P energy: -96.201 tors. eta vs tors. theta energy: -171.361 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.584 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 202 Temperature: 1.050000 Total energy: -1875.308101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1875.308101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1875.308101 (E_RNA) where: Base-Base interactions energy: -1241.123 where: short stacking energy: -532.777 Base-Backbone interact. energy: 6.036 local terms energy: -640.221563 where: bonds (distance) C4'-P energy: -123.762 bonds (distance) P-C4' energy: -133.047 flat angles C4'-P-C4' energy: -134.981 flat angles P-C4'-P energy: -85.869 tors. eta vs tors. theta energy: -162.563 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 202 Temperature: 1.100000 Total energy: -1874.128722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1874.128722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1874.128722 (E_RNA) where: Base-Base interactions energy: -1226.510 where: short stacking energy: -489.541 Base-Backbone interact. energy: -3.371 local terms energy: -644.248218 where: bonds (distance) C4'-P energy: -116.737 bonds (distance) P-C4' energy: -127.854 flat angles C4'-P-C4' energy: -141.559 flat angles P-C4'-P energy: -93.310 tors. eta vs tors. theta energy: -164.788 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: 202 Temperature: 1.150000 Total energy: -1632.023725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1632.023725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1632.023725 (E_RNA) where: Base-Base interactions energy: -1100.792 where: short stacking energy: -468.387 Base-Backbone interact. energy: -3.459 local terms energy: -527.772826 where: bonds (distance) C4'-P energy: -113.622 bonds (distance) P-C4' energy: -105.131 flat angles C4'-P-C4' energy: -111.907 flat angles P-C4'-P energy: -59.592 tors. eta vs tors. theta energy: -137.521 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 202 Temperature: 1.200000 Total energy: -1247.345425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1247.345425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1247.345425 (E_RNA) where: Base-Base interactions energy: -742.882 where: short stacking energy: -333.186 Base-Backbone interact. energy: 1.534 local terms energy: -505.997745 where: bonds (distance) C4'-P energy: -103.450 bonds (distance) P-C4' energy: -123.148 flat angles C4'-P-C4' energy: -115.307 flat angles P-C4'-P energy: -82.134 tors. eta vs tors. theta energy: -81.960 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: 8, replica: 3 ===================================== Write number: 202 Temperature: 1.250000 Total energy: -797.821588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -797.821588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -797.821588 (E_RNA) where: Base-Base interactions energy: -400.138 where: short stacking energy: -235.231 Base-Backbone interact. energy: -0.791 local terms energy: -396.892561 where: bonds (distance) C4'-P energy: -107.175 bonds (distance) P-C4' energy: -133.882 flat angles C4'-P-C4' energy: -94.291 flat angles P-C4'-P energy: -38.538 tors. eta vs tors. theta energy: -23.006 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: 4 ===================================== Write number: 202 Temperature: 1.300000 Total energy: -528.931068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -528.931068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -528.931068 (E_RNA) where: Base-Base interactions energy: -209.547 where: short stacking energy: -152.679 Base-Backbone interact. energy: 3.042 local terms energy: -322.426768 where: bonds (distance) C4'-P energy: -101.444 bonds (distance) P-C4' energy: -102.778 flat angles C4'-P-C4' energy: -91.426 flat angles P-C4'-P energy: -47.146 tors. eta vs tors. theta energy: 20.366 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: 9 ===================================== Write number: 202 Temperature: 1.350000 Total energy: -481.465978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -481.465978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -481.465978 (E_RNA) where: Base-Base interactions energy: -160.212 where: short stacking energy: -110.982 Base-Backbone interact. energy: 0.733 local terms energy: -321.986784 where: bonds (distance) C4'-P energy: -101.109 bonds (distance) P-C4' energy: -108.691 flat angles C4'-P-C4' energy: -81.031 flat angles P-C4'-P energy: -59.468 tors. eta vs tors. theta energy: 28.313 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 203 Temperature: 0.900000 Total energy: -2217.884182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2217.884182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2217.884182 (E_RNA) where: Base-Base interactions energy: -1496.422 where: short stacking energy: -634.979 Base-Backbone interact. energy: -1.886 local terms energy: -719.576026 where: bonds (distance) C4'-P energy: -135.978 bonds (distance) P-C4' energy: -126.585 flat angles C4'-P-C4' energy: -146.908 flat angles P-C4'-P energy: -105.683 tors. eta vs tors. theta energy: -204.422 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: 5 ===================================== Write number: 203 Temperature: 0.950000 Total energy: -2095.373734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2095.373734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2095.373734 (E_RNA) where: Base-Base interactions energy: -1431.349 where: short stacking energy: -593.238 Base-Backbone interact. energy: -1.326 local terms energy: -662.698361 where: bonds (distance) C4'-P energy: -123.624 bonds (distance) P-C4' energy: -134.084 flat angles C4'-P-C4' energy: -138.888 flat angles P-C4'-P energy: -91.133 tors. eta vs tors. theta energy: -174.968 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 203 Temperature: 1.000000 Total energy: -2041.447960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2041.447960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2041.447960 (E_RNA) where: Base-Base interactions energy: -1373.613 where: short stacking energy: -557.796 Base-Backbone interact. energy: -2.399 local terms energy: -665.435992 where: bonds (distance) C4'-P energy: -128.177 bonds (distance) P-C4' energy: -115.483 flat angles C4'-P-C4' energy: -150.815 flat angles P-C4'-P energy: -90.909 tors. eta vs tors. theta energy: -180.051 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 203 Temperature: 1.050000 Total energy: -1883.335058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1883.335058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1883.335058 (E_RNA) where: Base-Base interactions energy: -1275.932 where: short stacking energy: -537.991 Base-Backbone interact. energy: 1.567 local terms energy: -608.970067 where: bonds (distance) C4'-P energy: -118.299 bonds (distance) P-C4' energy: -105.855 flat angles C4'-P-C4' energy: -129.027 flat angles P-C4'-P energy: -87.523 tors. eta vs tors. theta energy: -168.266 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 203 Temperature: 1.100000 Total energy: -1797.956618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1797.956618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1797.956618 (E_RNA) where: Base-Base interactions energy: -1191.793 where: short stacking energy: -515.750 Base-Backbone interact. energy: 0.058 local terms energy: -606.221796 where: bonds (distance) C4'-P energy: -125.222 bonds (distance) P-C4' energy: -107.602 flat angles C4'-P-C4' energy: -135.353 flat angles P-C4'-P energy: -90.385 tors. eta vs tors. theta energy: -147.661 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 203 Temperature: 1.150000 Total energy: -1538.968755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1538.968755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1538.968755 (E_RNA) where: Base-Base interactions energy: -998.229 where: short stacking energy: -427.321 Base-Backbone interact. energy: -0.911 local terms energy: -539.829005 where: bonds (distance) C4'-P energy: -104.557 bonds (distance) P-C4' energy: -108.637 flat angles C4'-P-C4' energy: -122.978 flat angles P-C4'-P energy: -85.772 tors. eta vs tors. theta energy: -117.884 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: 1 ===================================== Write number: 203 Temperature: 1.200000 Total energy: -1146.168285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1146.168285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1146.168285 (E_RNA) where: Base-Base interactions energy: -706.217 where: short stacking energy: -320.158 Base-Backbone interact. energy: -0.640 local terms energy: -439.311283 where: bonds (distance) C4'-P energy: -98.626 bonds (distance) P-C4' energy: -108.125 flat angles C4'-P-C4' energy: -109.442 flat angles P-C4'-P energy: -65.294 tors. eta vs tors. theta energy: -57.824 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 203 Temperature: 1.250000 Total energy: -736.310500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -736.310500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -736.310500 (E_RNA) where: Base-Base interactions energy: -347.931 where: short stacking energy: -219.091 Base-Backbone interact. energy: -2.275 local terms energy: -386.951251 where: bonds (distance) C4'-P energy: -93.473 bonds (distance) P-C4' energy: -103.103 flat angles C4'-P-C4' energy: -98.880 flat angles P-C4'-P energy: -67.937 tors. eta vs tors. theta energy: -23.559 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.847 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 203 Temperature: 1.300000 Total energy: -521.222029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -521.222029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -521.222029 (E_RNA) where: Base-Base interactions energy: -195.742 where: short stacking energy: -154.521 Base-Backbone interact. energy: 1.096 local terms energy: -326.576023 where: bonds (distance) C4'-P energy: -108.530 bonds (distance) P-C4' energy: -108.611 flat angles C4'-P-C4' energy: -77.300 flat angles P-C4'-P energy: -60.844 tors. eta vs tors. theta energy: 28.708 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: 9 ===================================== Write number: 203 Temperature: 1.350000 Total energy: -489.468518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -489.468518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -489.468518 (E_RNA) where: Base-Base interactions energy: -149.567 where: short stacking energy: -114.880 Base-Backbone interact. energy: -0.939 local terms energy: -338.962327 where: bonds (distance) C4'-P energy: -101.557 bonds (distance) P-C4' energy: -120.207 flat angles C4'-P-C4' energy: -98.242 flat angles P-C4'-P energy: -41.638 tors. eta vs tors. theta energy: 22.681 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 204 Temperature: 0.900000 Total energy: -2245.169107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2245.169107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2245.169107 (E_RNA) where: Base-Base interactions energy: -1531.049 where: short stacking energy: -635.536 Base-Backbone interact. energy: -0.813 local terms energy: -713.307279 where: bonds (distance) C4'-P energy: -127.641 bonds (distance) P-C4' energy: -130.323 flat angles C4'-P-C4' energy: -153.720 flat angles P-C4'-P energy: -99.216 tors. eta vs tors. theta energy: -202.406 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 204 Temperature: 0.950000 Total energy: -2135.345605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2135.345605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2135.345605 (E_RNA) where: Base-Base interactions energy: -1452.341 where: short stacking energy: -644.746 Base-Backbone interact. energy: 3.036 local terms energy: -686.040000 where: bonds (distance) C4'-P energy: -126.675 bonds (distance) P-C4' energy: -135.705 flat angles C4'-P-C4' energy: -143.123 flat angles P-C4'-P energy: -97.953 tors. eta vs tors. theta energy: -182.585 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: 10 ===================================== Write number: 204 Temperature: 1.000000 Total energy: -2023.665026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2023.665026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2023.665026 (E_RNA) where: Base-Base interactions energy: -1380.390 where: short stacking energy: -559.650 Base-Backbone interact. energy: 0.695 local terms energy: -643.970652 where: bonds (distance) C4'-P energy: -120.087 bonds (distance) P-C4' energy: -122.960 flat angles C4'-P-C4' energy: -148.237 flat angles P-C4'-P energy: -76.880 tors. eta vs tors. theta energy: -175.807 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 204 Temperature: 1.050000 Total energy: -1860.394601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1860.394601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1860.394601 (E_RNA) where: Base-Base interactions energy: -1214.495 where: short stacking energy: -495.062 Base-Backbone interact. energy: -1.228 local terms energy: -644.671424 where: bonds (distance) C4'-P energy: -133.441 bonds (distance) P-C4' energy: -131.734 flat angles C4'-P-C4' energy: -133.382 flat angles P-C4'-P energy: -85.305 tors. eta vs tors. theta energy: -160.809 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 204 Temperature: 1.100000 Total energy: -1766.832651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1766.832651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1766.832651 (E_RNA) where: Base-Base interactions energy: -1191.353 where: short stacking energy: -478.288 Base-Backbone interact. energy: -2.562 local terms energy: -572.917610 where: bonds (distance) C4'-P energy: -104.016 bonds (distance) P-C4' energy: -116.023 flat angles C4'-P-C4' energy: -134.149 flat angles P-C4'-P energy: -79.480 tors. eta vs tors. theta energy: -139.249 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: 7 ===================================== Write number: 204 Temperature: 1.150000 Total energy: -1602.169783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1602.169783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1602.169783 (E_RNA) where: Base-Base interactions energy: -1051.518 where: short stacking energy: -440.754 Base-Backbone interact. energy: -2.845 local terms energy: -547.806828 where: bonds (distance) C4'-P energy: -102.935 bonds (distance) P-C4' energy: -120.965 flat angles C4'-P-C4' energy: -120.042 flat angles P-C4'-P energy: -68.333 tors. eta vs tors. theta energy: -135.532 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 204 Temperature: 1.200000 Total energy: -1216.728160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1216.728160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1216.728160 (E_RNA) where: Base-Base interactions energy: -752.917 where: short stacking energy: -326.866 Base-Backbone interact. energy: -0.584 local terms energy: -463.227667 where: bonds (distance) C4'-P energy: -112.197 bonds (distance) P-C4' energy: -115.298 flat angles C4'-P-C4' energy: -104.125 flat angles P-C4'-P energy: -67.853 tors. eta vs tors. theta energy: -63.755 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 204 Temperature: 1.250000 Total energy: -732.916235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -732.916235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -732.916235 (E_RNA) where: Base-Base interactions energy: -338.098 where: short stacking energy: -223.515 Base-Backbone interact. energy: 4.371 local terms energy: -399.188810 where: bonds (distance) C4'-P energy: -108.248 bonds (distance) P-C4' energy: -115.191 flat angles C4'-P-C4' energy: -101.134 flat angles P-C4'-P energy: -64.656 tors. eta vs tors. theta energy: -9.960 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: 9 ===================================== Write number: 204 Temperature: 1.300000 Total energy: -528.015020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -528.015020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -528.015020 (E_RNA) where: Base-Base interactions energy: -171.597 where: short stacking energy: -127.729 Base-Backbone interact. energy: 1.938 local terms energy: -358.355170 where: bonds (distance) C4'-P energy: -104.610 bonds (distance) P-C4' energy: -122.316 flat angles C4'-P-C4' energy: -97.854 flat angles P-C4'-P energy: -58.894 tors. eta vs tors. theta energy: 25.319 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 204 Temperature: 1.350000 Total energy: -498.088060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -498.088060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -498.088060 (E_RNA) where: Base-Base interactions energy: -182.012 where: short stacking energy: -115.205 Base-Backbone interact. energy: 3.726 local terms energy: -319.801868 where: bonds (distance) C4'-P energy: -103.570 bonds (distance) P-C4' energy: -117.157 flat angles C4'-P-C4' energy: -79.037 flat angles P-C4'-P energy: -49.598 tors. eta vs tors. theta energy: 29.560 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 205 Temperature: 0.900000 Total energy: -2258.639921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2258.639921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2258.639921 (E_RNA) where: Base-Base interactions energy: -1545.421 where: short stacking energy: -616.404 Base-Backbone interact. energy: -2.579 local terms energy: -710.640474 where: bonds (distance) C4'-P energy: -114.793 bonds (distance) P-C4' energy: -143.448 flat angles C4'-P-C4' energy: -159.690 flat angles P-C4'-P energy: -89.355 tors. eta vs tors. theta energy: -203.355 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: 5 ===================================== Write number: 205 Temperature: 0.950000 Total energy: -2128.553727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2128.553727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2128.553727 (E_RNA) where: Base-Base interactions energy: -1450.966 where: short stacking energy: -614.343 Base-Backbone interact. energy: -2.458 local terms energy: -675.129901 where: bonds (distance) C4'-P energy: -127.075 bonds (distance) P-C4' energy: -117.219 flat angles C4'-P-C4' energy: -146.651 flat angles P-C4'-P energy: -100.129 tors. eta vs tors. theta energy: -184.056 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 205 Temperature: 1.000000 Total energy: -2048.800811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2048.800811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2048.800811 (E_RNA) where: Base-Base interactions energy: -1376.587 where: short stacking energy: -588.193 Base-Backbone interact. energy: -3.266 local terms energy: -668.948687 where: bonds (distance) C4'-P energy: -132.059 bonds (distance) P-C4' energy: -128.906 flat angles C4'-P-C4' energy: -145.665 flat angles P-C4'-P energy: -76.638 tors. eta vs tors. theta energy: -185.681 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 205 Temperature: 1.050000 Total energy: -1886.465751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1886.465751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1886.465751 (E_RNA) where: Base-Base interactions energy: -1290.092 where: short stacking energy: -527.494 Base-Backbone interact. energy: -2.404 local terms energy: -593.969557 where: bonds (distance) C4'-P energy: -124.080 bonds (distance) P-C4' energy: -117.936 flat angles C4'-P-C4' energy: -132.524 flat angles P-C4'-P energy: -59.382 tors. eta vs tors. theta energy: -160.047 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: 6 ===================================== Write number: 205 Temperature: 1.100000 Total energy: -1807.092015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1807.092015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1807.092015 (E_RNA) where: Base-Base interactions energy: -1201.634 where: short stacking energy: -510.095 Base-Backbone interact. energy: -1.837 local terms energy: -603.620868 where: bonds (distance) C4'-P energy: -113.332 bonds (distance) P-C4' energy: -118.702 flat angles C4'-P-C4' energy: -116.004 flat angles P-C4'-P energy: -92.591 tors. eta vs tors. theta energy: -162.991 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: 205 Temperature: 1.150000 Total energy: -1590.232534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1590.232534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1590.232534 (E_RNA) where: Base-Base interactions energy: -1039.293 where: short stacking energy: -437.702 Base-Backbone interact. energy: -0.322 local terms energy: -550.617214 where: bonds (distance) C4'-P energy: -118.703 bonds (distance) P-C4' energy: -121.877 flat angles C4'-P-C4' energy: -109.138 flat angles P-C4'-P energy: -73.790 tors. eta vs tors. theta energy: -127.109 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 205 Temperature: 1.200000 Total energy: -1180.135400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1180.135400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1180.135400 (E_RNA) where: Base-Base interactions energy: -710.657 where: short stacking energy: -337.169 Base-Backbone interact. energy: -1.120 local terms energy: -468.358201 where: bonds (distance) C4'-P energy: -120.248 bonds (distance) P-C4' energy: -115.981 flat angles C4'-P-C4' energy: -93.696 flat angles P-C4'-P energy: -71.938 tors. eta vs tors. theta energy: -66.495 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 205 Temperature: 1.250000 Total energy: -715.661845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -715.661845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -715.661845 (E_RNA) where: Base-Base interactions energy: -330.188 where: short stacking energy: -198.137 Base-Backbone interact. energy: 1.154 local terms energy: -386.627947 where: bonds (distance) C4'-P energy: -106.120 bonds (distance) P-C4' energy: -123.148 flat angles C4'-P-C4' energy: -109.668 flat angles P-C4'-P energy: -49.293 tors. eta vs tors. theta energy: 1.601 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: 9 ===================================== Write number: 205 Temperature: 1.300000 Total energy: -533.699684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -533.699684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -533.699684 (E_RNA) where: Base-Base interactions energy: -202.837 where: short stacking energy: -147.685 Base-Backbone interact. energy: 6.026 local terms energy: -336.888652 where: bonds (distance) C4'-P energy: -96.769 bonds (distance) P-C4' energy: -138.874 flat angles C4'-P-C4' energy: -72.838 flat angles P-C4'-P energy: -59.289 tors. eta vs tors. theta energy: 30.881 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 205 Temperature: 1.350000 Total energy: -491.710471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -491.710471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -491.710471 (E_RNA) where: Base-Base interactions energy: -190.141 where: short stacking energy: -126.722 Base-Backbone interact. energy: 4.529 local terms energy: -306.162364 where: bonds (distance) C4'-P energy: -103.168 bonds (distance) P-C4' energy: -112.479 flat angles C4'-P-C4' energy: -70.271 flat angles P-C4'-P energy: -41.994 tors. eta vs tors. theta energy: 21.749 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.064 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 206 Temperature: 0.900000 Total energy: -2259.781792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2259.781792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2259.781792 (E_RNA) where: Base-Base interactions energy: -1520.640 where: short stacking energy: -634.550 Base-Backbone interact. energy: -4.024 local terms energy: -735.118057 where: bonds (distance) C4'-P energy: -136.139 bonds (distance) P-C4' energy: -140.759 flat angles C4'-P-C4' energy: -149.958 flat angles P-C4'-P energy: -97.558 tors. eta vs tors. theta energy: -210.704 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: 5 ===================================== Write number: 206 Temperature: 0.950000 Total energy: -2105.354501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2105.354501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2105.354501 (E_RNA) where: Base-Base interactions energy: -1413.263 where: short stacking energy: -623.866 Base-Backbone interact. energy: -4.564 local terms energy: -687.527507 where: bonds (distance) C4'-P energy: -122.807 bonds (distance) P-C4' energy: -130.450 flat angles C4'-P-C4' energy: -154.170 flat angles P-C4'-P energy: -95.977 tors. eta vs tors. theta energy: -184.123 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 206 Temperature: 1.000000 Total energy: -2031.795688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2031.795688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2031.795688 (E_RNA) where: Base-Base interactions energy: -1370.176 where: short stacking energy: -558.726 Base-Backbone interact. energy: 1.677 local terms energy: -663.296442 where: bonds (distance) C4'-P energy: -120.365 bonds (distance) P-C4' energy: -132.458 flat angles C4'-P-C4' energy: -137.556 flat angles P-C4'-P energy: -86.200 tors. eta vs tors. theta energy: -186.717 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 206 Temperature: 1.050000 Total energy: -1865.529867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1865.529867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1865.529867 (E_RNA) where: Base-Base interactions energy: -1254.165 where: short stacking energy: -508.412 Base-Backbone interact. energy: 4.085 local terms energy: -615.449401 where: bonds (distance) C4'-P energy: -123.858 bonds (distance) P-C4' energy: -118.799 flat angles C4'-P-C4' energy: -120.827 flat angles P-C4'-P energy: -82.841 tors. eta vs tors. theta energy: -169.124 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 206 Temperature: 1.100000 Total energy: -1802.074746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1802.074746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1802.074746 (E_RNA) where: Base-Base interactions energy: -1205.900 where: short stacking energy: -497.030 Base-Backbone interact. energy: -0.461 local terms energy: -595.714234 where: bonds (distance) C4'-P energy: -122.654 bonds (distance) P-C4' energy: -111.513 flat angles C4'-P-C4' energy: -130.736 flat angles P-C4'-P energy: -83.195 tors. eta vs tors. theta energy: -147.617 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 206 Temperature: 1.150000 Total energy: -1580.793505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1580.793505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1580.793505 (E_RNA) where: Base-Base interactions energy: -1012.321 where: short stacking energy: -454.699 Base-Backbone interact. energy: -2.221 local terms energy: -566.251357 where: bonds (distance) C4'-P energy: -112.874 bonds (distance) P-C4' energy: -110.325 flat angles C4'-P-C4' energy: -133.266 flat angles P-C4'-P energy: -78.720 tors. eta vs tors. theta energy: -131.066 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: 7, replica: 1 ===================================== Write number: 206 Temperature: 1.200000 Total energy: -1212.393740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1212.393740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1212.393740 (E_RNA) where: Base-Base interactions energy: -740.931 where: short stacking energy: -341.717 Base-Backbone interact. energy: 2.802 local terms energy: -474.264785 where: bonds (distance) C4'-P energy: -112.393 bonds (distance) P-C4' energy: -125.418 flat angles C4'-P-C4' energy: -109.840 flat angles P-C4'-P energy: -56.146 tors. eta vs tors. theta energy: -70.468 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 206 Temperature: 1.250000 Total energy: -751.919973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -751.919973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -751.919973 (E_RNA) where: Base-Base interactions energy: -344.909 where: short stacking energy: -184.422 Base-Backbone interact. energy: -2.406 local terms energy: -404.605251 where: bonds (distance) C4'-P energy: -115.223 bonds (distance) P-C4' energy: -120.345 flat angles C4'-P-C4' energy: -111.903 flat angles P-C4'-P energy: -53.382 tors. eta vs tors. theta energy: -3.753 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: 9, replica: 4 ===================================== Write number: 206 Temperature: 1.300000 Total energy: -588.276651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -588.276651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -588.276651 (E_RNA) where: Base-Base interactions energy: -243.823 where: short stacking energy: -140.037 Base-Backbone interact. energy: 4.580 local terms energy: -349.410755 where: bonds (distance) C4'-P energy: -110.937 bonds (distance) P-C4' energy: -99.997 flat angles C4'-P-C4' energy: -112.509 flat angles P-C4'-P energy: -65.155 tors. eta vs tors. theta energy: 39.188 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.377 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 206 Temperature: 1.350000 Total energy: -467.940449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -467.940449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -467.940449 (E_RNA) where: Base-Base interactions energy: -141.282 where: short stacking energy: -112.430 Base-Backbone interact. energy: 0.567 local terms energy: -327.225567 where: bonds (distance) C4'-P energy: -117.463 bonds (distance) P-C4' energy: -108.457 flat angles C4'-P-C4' energy: -88.458 flat angles P-C4'-P energy: -49.568 tors. eta vs tors. theta energy: 36.720 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: 2 ===================================== Write number: 207 Temperature: 0.900000 Total energy: -2238.498204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2238.498204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2238.498204 (E_RNA) where: Base-Base interactions energy: -1509.599 where: short stacking energy: -635.080 Base-Backbone interact. energy: 0.059 local terms energy: -728.958621 where: bonds (distance) C4'-P energy: -136.054 bonds (distance) P-C4' energy: -129.780 flat angles C4'-P-C4' energy: -157.325 flat angles P-C4'-P energy: -107.298 tors. eta vs tors. theta energy: -198.501 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: 5 ===================================== Write number: 207 Temperature: 0.950000 Total energy: -2115.812164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2115.812164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2115.812164 (E_RNA) where: Base-Base interactions energy: -1418.705 where: short stacking energy: -622.517 Base-Backbone interact. energy: -0.295 local terms energy: -696.811444 where: bonds (distance) C4'-P energy: -137.180 bonds (distance) P-C4' energy: -125.592 flat angles C4'-P-C4' energy: -148.113 flat angles P-C4'-P energy: -98.850 tors. eta vs tors. theta energy: -187.077 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: 10 ===================================== Write number: 207 Temperature: 1.000000 Total energy: -2011.900510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2011.900510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2011.900510 (E_RNA) where: Base-Base interactions energy: -1367.491 where: short stacking energy: -561.378 Base-Backbone interact. energy: -3.819 local terms energy: -640.591277 where: bonds (distance) C4'-P energy: -97.013 bonds (distance) P-C4' energy: -126.094 flat angles C4'-P-C4' energy: -133.636 flat angles P-C4'-P energy: -96.196 tors. eta vs tors. theta energy: -187.652 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: 8 ===================================== Write number: 207 Temperature: 1.050000 Total energy: -1918.153148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1918.153148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1918.153148 (E_RNA) where: Base-Base interactions energy: -1309.262 where: short stacking energy: -543.344 Base-Backbone interact. energy: 0.575 local terms energy: -609.466790 where: bonds (distance) C4'-P energy: -110.988 bonds (distance) P-C4' energy: -117.040 flat angles C4'-P-C4' energy: -140.725 flat angles P-C4'-P energy: -76.956 tors. eta vs tors. theta energy: -163.757 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 207 Temperature: 1.100000 Total energy: -1811.302616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1811.302616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1811.302616 (E_RNA) where: Base-Base interactions energy: -1188.254 where: short stacking energy: -532.561 Base-Backbone interact. energy: -1.688 local terms energy: -621.361417 where: bonds (distance) C4'-P energy: -119.695 bonds (distance) P-C4' energy: -123.836 flat angles C4'-P-C4' energy: -130.520 flat angles P-C4'-P energy: -80.052 tors. eta vs tors. theta energy: -167.259 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: 7 ===================================== Write number: 207 Temperature: 1.150000 Total energy: -1555.587495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1555.587495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1555.587495 (E_RNA) where: Base-Base interactions energy: -1013.221 where: short stacking energy: -434.407 Base-Backbone interact. energy: -1.777 local terms energy: -540.589021 where: bonds (distance) C4'-P energy: -111.223 bonds (distance) P-C4' energy: -110.587 flat angles C4'-P-C4' energy: -135.303 flat angles P-C4'-P energy: -64.891 tors. eta vs tors. theta energy: -118.585 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: 1 ===================================== Write number: 207 Temperature: 1.200000 Total energy: -1215.417082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1215.417082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1215.417082 (E_RNA) where: Base-Base interactions energy: -768.899 where: short stacking energy: -324.191 Base-Backbone interact. energy: -0.782 local terms energy: -445.736540 where: bonds (distance) C4'-P energy: -97.777 bonds (distance) P-C4' energy: -106.433 flat angles C4'-P-C4' energy: -115.542 flat angles P-C4'-P energy: -65.643 tors. eta vs tors. theta energy: -60.342 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: 3 ===================================== Write number: 207 Temperature: 1.250000 Total energy: -682.277729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -682.277729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -682.277729 (E_RNA) where: Base-Base interactions energy: -311.691 where: short stacking energy: -203.912 Base-Backbone interact. energy: 5.003 local terms energy: -375.590237 where: bonds (distance) C4'-P energy: -115.164 bonds (distance) P-C4' energy: -97.681 flat angles C4'-P-C4' energy: -98.879 flat angles P-C4'-P energy: -68.785 tors. eta vs tors. theta energy: 4.919 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: 4 ===================================== Write number: 207 Temperature: 1.300000 Total energy: -630.130914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -630.130914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -630.130914 (E_RNA) where: Base-Base interactions energy: -245.254 where: short stacking energy: -165.928 Base-Backbone interact. energy: 1.378 local terms energy: -386.254958 where: bonds (distance) C4'-P energy: -108.318 bonds (distance) P-C4' energy: -119.869 flat angles C4'-P-C4' energy: -101.225 flat angles P-C4'-P energy: -79.955 tors. eta vs tors. theta energy: 23.112 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 207 Temperature: 1.350000 Total energy: -482.271445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -482.271445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -482.271445 (E_RNA) where: Base-Base interactions energy: -164.731 where: short stacking energy: -116.899 Base-Backbone interact. energy: 1.612 local terms energy: -319.153256 where: bonds (distance) C4'-P energy: -108.408 bonds (distance) P-C4' energy: -103.508 flat angles C4'-P-C4' energy: -101.356 flat angles P-C4'-P energy: -42.053 tors. eta vs tors. theta energy: 36.172 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 208 Temperature: 0.900000 Total energy: -2212.401049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2212.401049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2212.401049 (E_RNA) where: Base-Base interactions energy: -1484.155 where: short stacking energy: -614.414 Base-Backbone interact. energy: -3.717 local terms energy: -724.528733 where: bonds (distance) C4'-P energy: -126.873 bonds (distance) P-C4' energy: -144.678 flat angles C4'-P-C4' energy: -158.360 flat angles P-C4'-P energy: -92.638 tors. eta vs tors. theta energy: -201.980 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 208 Temperature: 0.950000 Total energy: -2168.442311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2168.442311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2168.442311 (E_RNA) where: Base-Base interactions energy: -1455.694 where: short stacking energy: -626.605 Base-Backbone interact. energy: -2.530 local terms energy: -710.217911 where: bonds (distance) C4'-P energy: -130.632 bonds (distance) P-C4' energy: -129.832 flat angles C4'-P-C4' energy: -149.672 flat angles P-C4'-P energy: -97.507 tors. eta vs tors. theta energy: -202.575 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 208 Temperature: 1.000000 Total energy: -2046.792392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2046.792392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2046.792392 (E_RNA) where: Base-Base interactions energy: -1392.158 where: short stacking energy: -563.455 Base-Backbone interact. energy: -4.058 local terms energy: -650.577248 where: bonds (distance) C4'-P energy: -104.453 bonds (distance) P-C4' energy: -130.190 flat angles C4'-P-C4' energy: -152.004 flat angles P-C4'-P energy: -91.487 tors. eta vs tors. theta energy: -172.443 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 208 Temperature: 1.050000 Total energy: -1895.743008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1895.743008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1895.743008 (E_RNA) where: Base-Base interactions energy: -1273.283 where: short stacking energy: -518.175 Base-Backbone interact. energy: -3.540 local terms energy: -618.919870 where: bonds (distance) C4'-P energy: -117.221 bonds (distance) P-C4' energy: -123.378 flat angles C4'-P-C4' energy: -134.543 flat angles P-C4'-P energy: -91.505 tors. eta vs tors. theta energy: -152.273 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 208 Temperature: 1.100000 Total energy: -1930.582500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1930.582500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1930.582500 (E_RNA) where: Base-Base interactions energy: -1304.826 where: short stacking energy: -554.816 Base-Backbone interact. energy: 0.677 local terms energy: -626.433793 where: bonds (distance) C4'-P energy: -116.392 bonds (distance) P-C4' energy: -116.001 flat angles C4'-P-C4' energy: -127.295 flat angles P-C4'-P energy: -97.243 tors. eta vs tors. theta energy: -169.503 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: 7 ===================================== Write number: 208 Temperature: 1.150000 Total energy: -1478.530441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1478.530441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1478.530441 (E_RNA) where: Base-Base interactions energy: -910.315 where: short stacking energy: -396.201 Base-Backbone interact. energy: 1.816 local terms energy: -570.032319 where: bonds (distance) C4'-P energy: -126.867 bonds (distance) P-C4' energy: -125.568 flat angles C4'-P-C4' energy: -122.998 flat angles P-C4'-P energy: -89.586 tors. eta vs tors. theta energy: -105.013 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: 7, replica: 1 ===================================== Write number: 208 Temperature: 1.200000 Total energy: -1217.326075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1217.326075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1217.326075 (E_RNA) where: Base-Base interactions energy: -732.393 where: short stacking energy: -346.811 Base-Backbone interact. energy: -2.187 local terms energy: -482.745898 where: bonds (distance) C4'-P energy: -110.161 bonds (distance) P-C4' energy: -92.903 flat angles C4'-P-C4' energy: -112.542 flat angles P-C4'-P energy: -81.767 tors. eta vs tors. theta energy: -85.373 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: 3 ===================================== Write number: 208 Temperature: 1.250000 Total energy: -704.904277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -704.904277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -704.904277 (E_RNA) where: Base-Base interactions energy: -334.355 where: short stacking energy: -216.341 Base-Backbone interact. energy: -1.268 local terms energy: -369.280956 where: bonds (distance) C4'-P energy: -114.214 bonds (distance) P-C4' energy: -126.651 flat angles C4'-P-C4' energy: -80.377 flat angles P-C4'-P energy: -51.174 tors. eta vs tors. theta energy: 3.134 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: 4 ===================================== Write number: 208 Temperature: 1.300000 Total energy: -591.134611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -591.134611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -591.134611 (E_RNA) where: Base-Base interactions energy: -249.885 where: short stacking energy: -162.178 Base-Backbone interact. energy: 8.484 local terms energy: -349.733691 where: bonds (distance) C4'-P energy: -103.616 bonds (distance) P-C4' energy: -111.311 flat angles C4'-P-C4' energy: -96.080 flat angles P-C4'-P energy: -62.083 tors. eta vs tors. theta energy: 23.356 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 208 Temperature: 1.350000 Total energy: -493.137644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -493.137644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -493.137644 (E_RNA) where: Base-Base interactions energy: -155.713 where: short stacking energy: -115.874 Base-Backbone interact. energy: 5.180 local terms energy: -342.604522 where: bonds (distance) C4'-P energy: -110.344 bonds (distance) P-C4' energy: -104.650 flat angles C4'-P-C4' energy: -115.718 flat angles P-C4'-P energy: -41.042 tors. eta vs tors. theta energy: 29.149 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 209 Temperature: 0.900000 Total energy: -2253.100236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2253.100236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2253.100236 (E_RNA) where: Base-Base interactions energy: -1539.969 where: short stacking energy: -657.762 Base-Backbone interact. energy: -3.106 local terms energy: -710.024863 where: bonds (distance) C4'-P energy: -117.198 bonds (distance) P-C4' energy: -145.055 flat angles C4'-P-C4' energy: -157.430 flat angles P-C4'-P energy: -84.790 tors. eta vs tors. theta energy: -205.551 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: 5 ===================================== Write number: 209 Temperature: 0.950000 Total energy: -2155.379097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2155.379097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2155.379097 (E_RNA) where: Base-Base interactions energy: -1488.673 where: short stacking energy: -633.496 Base-Backbone interact. energy: -0.232 local terms energy: -666.474226 where: bonds (distance) C4'-P energy: -110.974 bonds (distance) P-C4' energy: -113.455 flat angles C4'-P-C4' energy: -151.706 flat angles P-C4'-P energy: -89.533 tors. eta vs tors. theta energy: -200.806 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 209 Temperature: 1.000000 Total energy: -2033.649335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2033.649335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2033.649335 (E_RNA) where: Base-Base interactions energy: -1380.529 where: short stacking energy: -556.570 Base-Backbone interact. energy: -2.994 local terms energy: -650.126662 where: bonds (distance) C4'-P energy: -133.435 bonds (distance) P-C4' energy: -123.374 flat angles C4'-P-C4' energy: -145.088 flat angles P-C4'-P energy: -71.577 tors. eta vs tors. theta energy: -176.653 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: 209 Temperature: 1.050000 Total energy: -1986.890367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1986.890367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1986.890367 (E_RNA) where: Base-Base interactions energy: -1337.609 where: short stacking energy: -578.478 Base-Backbone interact. energy: 1.557 local terms energy: -650.837548 where: bonds (distance) C4'-P energy: -113.870 bonds (distance) P-C4' energy: -121.848 flat angles C4'-P-C4' energy: -131.994 flat angles P-C4'-P energy: -103.328 tors. eta vs tors. theta energy: -179.798 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: 5, replica: 8 ===================================== Write number: 209 Temperature: 1.100000 Total energy: -1826.185504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1826.185504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1826.185504 (E_RNA) where: Base-Base interactions energy: -1229.125 where: short stacking energy: -508.682 Base-Backbone interact. energy: -1.475 local terms energy: -595.585716 where: bonds (distance) C4'-P energy: -113.382 bonds (distance) P-C4' energy: -120.540 flat angles C4'-P-C4' energy: -126.004 flat angles P-C4'-P energy: -84.791 tors. eta vs tors. theta energy: -150.870 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: 7 ===================================== Write number: 209 Temperature: 1.150000 Total energy: -1506.965178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1506.965178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1506.965178 (E_RNA) where: Base-Base interactions energy: -939.897 where: short stacking energy: -457.119 Base-Backbone interact. energy: -2.672 local terms energy: -564.396933 where: bonds (distance) C4'-P energy: -124.637 bonds (distance) P-C4' energy: -118.977 flat angles C4'-P-C4' energy: -116.373 flat angles P-C4'-P energy: -72.502 tors. eta vs tors. theta energy: -131.907 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 209 Temperature: 1.200000 Total energy: -1182.069476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1182.069476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1182.069476 (E_RNA) where: Base-Base interactions energy: -690.735 where: short stacking energy: -340.115 Base-Backbone interact. energy: 0.088 local terms energy: -491.422174 where: bonds (distance) C4'-P energy: -123.862 bonds (distance) P-C4' energy: -119.381 flat angles C4'-P-C4' energy: -109.669 flat angles P-C4'-P energy: -59.221 tors. eta vs tors. theta energy: -79.289 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: 3 ===================================== Write number: 209 Temperature: 1.250000 Total energy: -692.996860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -692.996860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -692.996860 (E_RNA) where: Base-Base interactions energy: -305.082 where: short stacking energy: -183.482 Base-Backbone interact. energy: 3.339 local terms energy: -391.253877 where: bonds (distance) C4'-P energy: -97.896 bonds (distance) P-C4' energy: -128.055 flat angles C4'-P-C4' energy: -103.078 flat angles P-C4'-P energy: -70.089 tors. eta vs tors. theta energy: 7.863 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: 4 ===================================== Write number: 209 Temperature: 1.300000 Total energy: -510.484552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -510.484552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -510.484552 (E_RNA) where: Base-Base interactions energy: -189.929 where: short stacking energy: -151.520 Base-Backbone interact. energy: 0.852 local terms energy: -321.407664 where: bonds (distance) C4'-P energy: -95.520 bonds (distance) P-C4' energy: -104.739 flat angles C4'-P-C4' energy: -87.467 flat angles P-C4'-P energy: -53.385 tors. eta vs tors. theta energy: 19.702 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 209 Temperature: 1.350000 Total energy: -495.084339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -495.084339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -495.084339 (E_RNA) where: Base-Base interactions energy: -169.015 where: short stacking energy: -111.708 Base-Backbone interact. energy: 3.139 local terms energy: -329.208615 where: bonds (distance) C4'-P energy: -87.781 bonds (distance) P-C4' energy: -124.982 flat angles C4'-P-C4' energy: -92.156 flat angles P-C4'-P energy: -50.569 tors. eta vs tors. theta energy: 26.279 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 210 Temperature: 0.900000 Total energy: -2213.495652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2213.495652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2213.495652 (E_RNA) where: Base-Base interactions energy: -1491.443 where: short stacking energy: -638.053 Base-Backbone interact. energy: -4.732 local terms energy: -717.320664 where: bonds (distance) C4'-P energy: -138.797 bonds (distance) P-C4' energy: -124.234 flat angles C4'-P-C4' energy: -154.706 flat angles P-C4'-P energy: -97.056 tors. eta vs tors. theta energy: -202.528 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 210 Temperature: 0.950000 Total energy: -2191.810830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2191.810830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2191.810830 (E_RNA) where: Base-Base interactions energy: -1483.707 where: short stacking energy: -628.474 Base-Backbone interact. energy: -2.856 local terms energy: -705.247697 where: bonds (distance) C4'-P energy: -132.462 bonds (distance) P-C4' energy: -137.855 flat angles C4'-P-C4' energy: -148.487 flat angles P-C4'-P energy: -90.241 tors. eta vs tors. theta energy: -196.204 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 210 Temperature: 1.000000 Total energy: -2065.826606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2065.826606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2065.826606 (E_RNA) where: Base-Base interactions energy: -1399.960 where: short stacking energy: -603.824 Base-Backbone interact. energy: 0.042 local terms energy: -665.909225 where: bonds (distance) C4'-P energy: -116.846 bonds (distance) P-C4' energy: -124.993 flat angles C4'-P-C4' energy: -147.134 flat angles P-C4'-P energy: -92.635 tors. eta vs tors. theta energy: -184.301 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: 10 ===================================== Write number: 210 Temperature: 1.050000 Total energy: -1953.970846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1953.970846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1953.970846 (E_RNA) where: Base-Base interactions energy: -1328.982 where: short stacking energy: -567.269 Base-Backbone interact. energy: -2.439 local terms energy: -622.549986 where: bonds (distance) C4'-P energy: -107.514 bonds (distance) P-C4' energy: -108.082 flat angles C4'-P-C4' energy: -138.970 flat angles P-C4'-P energy: -89.323 tors. eta vs tors. theta energy: -178.660 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: 210 Temperature: 1.100000 Total energy: -1757.178089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1757.178089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1757.178089 (E_RNA) where: Base-Base interactions energy: -1163.529 where: short stacking energy: -483.875 Base-Backbone interact. energy: 1.714 local terms energy: -595.363387 where: bonds (distance) C4'-P energy: -120.832 bonds (distance) P-C4' energy: -115.700 flat angles C4'-P-C4' energy: -137.076 flat angles P-C4'-P energy: -79.524 tors. eta vs tors. theta energy: -142.232 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: 210 Temperature: 1.150000 Total energy: -1561.419655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1561.419655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1561.419655 (E_RNA) where: Base-Base interactions energy: -994.984 where: short stacking energy: -454.339 Base-Backbone interact. energy: 0.971 local terms energy: -567.406412 where: bonds (distance) C4'-P energy: -115.585 bonds (distance) P-C4' energy: -130.780 flat angles C4'-P-C4' energy: -123.558 flat angles P-C4'-P energy: -81.070 tors. eta vs tors. theta energy: -116.413 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: 7, replica: 1 ===================================== Write number: 210 Temperature: 1.200000 Total energy: -1261.588493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1261.588493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1261.588493 (E_RNA) where: Base-Base interactions energy: -770.597 where: short stacking energy: -346.386 Base-Backbone interact. energy: -2.092 local terms energy: -488.898896 where: bonds (distance) C4'-P energy: -114.598 bonds (distance) P-C4' energy: -129.904 flat angles C4'-P-C4' energy: -109.323 flat angles P-C4'-P energy: -60.682 tors. eta vs tors. theta energy: -74.392 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 210 Temperature: 1.250000 Total energy: -705.851459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -705.851459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -705.851459 (E_RNA) where: Base-Base interactions energy: -332.581 where: short stacking energy: -186.229 Base-Backbone interact. energy: 1.261 local terms energy: -374.531828 where: bonds (distance) C4'-P energy: -112.967 bonds (distance) P-C4' energy: -124.811 flat angles C4'-P-C4' energy: -90.481 flat angles P-C4'-P energy: -52.397 tors. eta vs tors. theta energy: 6.124 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 210 Temperature: 1.300000 Total energy: -540.364683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -540.364683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -540.364683 (E_RNA) where: Base-Base interactions energy: -181.675 where: short stacking energy: -132.162 Base-Backbone interact. energy: -3.187 local terms energy: -355.502215 where: bonds (distance) C4'-P energy: -113.591 bonds (distance) P-C4' energy: -121.434 flat angles C4'-P-C4' energy: -84.173 flat angles P-C4'-P energy: -54.919 tors. eta vs tors. theta energy: 18.615 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 210 Temperature: 1.350000 Total energy: -523.710775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -523.710775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -523.710775 (E_RNA) where: Base-Base interactions energy: -185.898 where: short stacking energy: -153.462 Base-Backbone interact. energy: -0.495 local terms energy: -337.317304 where: bonds (distance) C4'-P energy: -95.493 bonds (distance) P-C4' energy: -108.549 flat angles C4'-P-C4' energy: -92.163 flat angles P-C4'-P energy: -46.886 tors. eta vs tors. theta energy: 5.774 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: 5 ===================================== Write number: 211 Temperature: 0.900000 Total energy: -2232.213709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2232.213709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2232.213709 (E_RNA) where: Base-Base interactions energy: -1505.907 where: short stacking energy: -641.477 Base-Backbone interact. energy: -2.887 local terms energy: -723.419840 where: bonds (distance) C4'-P energy: -138.114 bonds (distance) P-C4' energy: -127.547 flat angles C4'-P-C4' energy: -158.191 flat angles P-C4'-P energy: -105.214 tors. eta vs tors. theta energy: -194.355 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: 2 ===================================== Write number: 211 Temperature: 0.950000 Total energy: -2167.745871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2167.745871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2167.745871 (E_RNA) where: Base-Base interactions energy: -1474.230 where: short stacking energy: -618.778 Base-Backbone interact. energy: -0.431 local terms energy: -693.084644 where: bonds (distance) C4'-P energy: -116.064 bonds (distance) P-C4' energy: -140.189 flat angles C4'-P-C4' energy: -140.535 flat angles P-C4'-P energy: -100.535 tors. eta vs tors. theta energy: -195.762 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: 211 Temperature: 1.000000 Total energy: -2048.891976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2048.891976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2048.891976 (E_RNA) where: Base-Base interactions energy: -1387.954 where: short stacking energy: -590.522 Base-Backbone interact. energy: -3.297 local terms energy: -657.641072 where: bonds (distance) C4'-P energy: -121.886 bonds (distance) P-C4' energy: -124.491 flat angles C4'-P-C4' energy: -138.590 flat angles P-C4'-P energy: -87.457 tors. eta vs tors. theta energy: -185.218 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 211 Temperature: 1.050000 Total energy: -1955.597248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1955.597248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1955.597248 (E_RNA) where: Base-Base interactions energy: -1314.790 where: short stacking energy: -571.600 Base-Backbone interact. energy: 5.706 local terms energy: -646.513274 where: bonds (distance) C4'-P energy: -116.440 bonds (distance) P-C4' energy: -128.842 flat angles C4'-P-C4' energy: -139.143 flat angles P-C4'-P energy: -93.387 tors. eta vs tors. theta energy: -168.703 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 211 Temperature: 1.100000 Total energy: -1772.596346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1772.596346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1772.596346 (E_RNA) where: Base-Base interactions energy: -1168.882 where: short stacking energy: -500.182 Base-Backbone interact. energy: -3.125 local terms energy: -600.589109 where: bonds (distance) C4'-P energy: -109.754 bonds (distance) P-C4' energy: -111.810 flat angles C4'-P-C4' energy: -142.968 flat angles P-C4'-P energy: -83.504 tors. eta vs tors. theta energy: -152.552 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: 7 ===================================== Write number: 211 Temperature: 1.150000 Total energy: -1512.917687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1512.917687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1512.917687 (E_RNA) where: Base-Base interactions energy: -959.767 where: short stacking energy: -409.716 Base-Backbone interact. energy: 3.657 local terms energy: -556.807915 where: bonds (distance) C4'-P energy: -121.127 bonds (distance) P-C4' energy: -118.134 flat angles C4'-P-C4' energy: -126.883 flat angles P-C4'-P energy: -78.163 tors. eta vs tors. theta energy: -112.500 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 211 Temperature: 1.200000 Total energy: -1193.125213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1193.125213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1193.125213 (E_RNA) where: Base-Base interactions energy: -756.234 where: short stacking energy: -355.850 Base-Backbone interact. energy: 3.412 local terms energy: -440.582839 where: bonds (distance) C4'-P energy: -107.123 bonds (distance) P-C4' energy: -98.024 flat angles C4'-P-C4' energy: -101.269 flat angles P-C4'-P energy: -66.032 tors. eta vs tors. theta energy: -68.135 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.280 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 211 Temperature: 1.250000 Total energy: -740.496345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -740.496345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -740.496345 (E_RNA) where: Base-Base interactions energy: -345.500 where: short stacking energy: -203.030 Base-Backbone interact. energy: 1.352 local terms energy: -396.348118 where: bonds (distance) C4'-P energy: -110.321 bonds (distance) P-C4' energy: -106.043 flat angles C4'-P-C4' energy: -116.167 flat angles P-C4'-P energy: -66.908 tors. eta vs tors. theta energy: 3.091 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 211 Temperature: 1.300000 Total energy: -536.953234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -536.953234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -536.953234 (E_RNA) where: Base-Base interactions energy: -209.155 where: short stacking energy: -139.036 Base-Backbone interact. energy: 2.087 local terms energy: -329.885048 where: bonds (distance) C4'-P energy: -90.694 bonds (distance) P-C4' energy: -116.009 flat angles C4'-P-C4' energy: -90.889 flat angles P-C4'-P energy: -60.501 tors. eta vs tors. theta energy: 28.208 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 211 Temperature: 1.350000 Total energy: -492.322624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -492.322624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -492.322624 (E_RNA) where: Base-Base interactions energy: -175.112 where: short stacking energy: -107.284 Base-Backbone interact. energy: -0.792 local terms energy: -316.418373 where: bonds (distance) C4'-P energy: -111.919 bonds (distance) P-C4' energy: -93.055 flat angles C4'-P-C4' energy: -97.933 flat angles P-C4'-P energy: -49.575 tors. eta vs tors. theta energy: 36.064 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: 5 ===================================== Write number: 212 Temperature: 0.900000 Total energy: -2226.833296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2226.833296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2226.833296 (E_RNA) where: Base-Base interactions energy: -1486.253 where: short stacking energy: -627.685 Base-Backbone interact. energy: -1.669 local terms energy: -738.911420 where: bonds (distance) C4'-P energy: -137.881 bonds (distance) P-C4' energy: -141.260 flat angles C4'-P-C4' energy: -154.098 flat angles P-C4'-P energy: -106.669 tors. eta vs tors. theta energy: -199.004 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 212 Temperature: 0.950000 Total energy: -2169.620184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2169.620184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2169.620184 (E_RNA) where: Base-Base interactions energy: -1490.714 where: short stacking energy: -624.299 Base-Backbone interact. energy: -3.073 local terms energy: -675.832551 where: bonds (distance) C4'-P energy: -126.849 bonds (distance) P-C4' energy: -116.246 flat angles C4'-P-C4' energy: -146.793 flat angles P-C4'-P energy: -86.080 tors. eta vs tors. theta energy: -199.865 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: 6 ===================================== Write number: 212 Temperature: 1.000000 Total energy: -2047.559769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2047.559769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2047.559769 (E_RNA) where: Base-Base interactions energy: -1383.682 where: short stacking energy: -584.201 Base-Backbone interact. energy: 3.386 local terms energy: -667.263303 where: bonds (distance) C4'-P energy: -127.001 bonds (distance) P-C4' energy: -127.387 flat angles C4'-P-C4' energy: -148.858 flat angles P-C4'-P energy: -79.092 tors. eta vs tors. theta energy: -184.926 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 212 Temperature: 1.050000 Total energy: -1946.713447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1946.713447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1946.713447 (E_RNA) where: Base-Base interactions energy: -1324.670 where: short stacking energy: -561.022 Base-Backbone interact. energy: -2.998 local terms energy: -619.045258 where: bonds (distance) C4'-P energy: -108.481 bonds (distance) P-C4' energy: -129.403 flat angles C4'-P-C4' energy: -138.418 flat angles P-C4'-P energy: -66.822 tors. eta vs tors. theta energy: -175.922 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: 8 ===================================== Write number: 212 Temperature: 1.100000 Total energy: -1790.897252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1790.897252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1790.897252 (E_RNA) where: Base-Base interactions energy: -1194.359 where: short stacking energy: -495.357 Base-Backbone interact. energy: 2.704 local terms energy: -599.242441 where: bonds (distance) C4'-P energy: -118.335 bonds (distance) P-C4' energy: -119.265 flat angles C4'-P-C4' energy: -136.262 flat angles P-C4'-P energy: -71.583 tors. eta vs tors. theta energy: -153.798 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 212 Temperature: 1.150000 Total energy: -1513.623944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1513.623944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1513.623944 (E_RNA) where: Base-Base interactions energy: -973.740 where: short stacking energy: -412.262 Base-Backbone interact. energy: -2.230 local terms energy: -537.653842 where: bonds (distance) C4'-P energy: -121.970 bonds (distance) P-C4' energy: -103.222 flat angles C4'-P-C4' energy: -125.606 flat angles P-C4'-P energy: -79.015 tors. eta vs tors. theta energy: -107.841 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 212 Temperature: 1.200000 Total energy: -1216.996792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1216.996792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1216.996792 (E_RNA) where: Base-Base interactions energy: -726.556 where: short stacking energy: -346.960 Base-Backbone interact. energy: -4.657 local terms energy: -485.783614 where: bonds (distance) C4'-P energy: -104.085 bonds (distance) P-C4' energy: -107.199 flat angles C4'-P-C4' energy: -134.290 flat angles P-C4'-P energy: -80.164 tors. eta vs tors. theta energy: -60.046 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: 3 ===================================== Write number: 212 Temperature: 1.250000 Total energy: -777.994980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -777.994980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -777.994980 (E_RNA) where: Base-Base interactions energy: -380.424 where: short stacking energy: -191.767 Base-Backbone interact. energy: 0.039 local terms energy: -397.609938 where: bonds (distance) C4'-P energy: -109.043 bonds (distance) P-C4' energy: -119.838 flat angles C4'-P-C4' energy: -94.462 flat angles P-C4'-P energy: -65.443 tors. eta vs tors. theta energy: -8.823 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: 9, replica: 4 ===================================== Write number: 212 Temperature: 1.300000 Total energy: -518.108742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -518.108742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -518.108742 (E_RNA) where: Base-Base interactions energy: -190.573 where: short stacking energy: -139.822 Base-Backbone interact. energy: 8.927 local terms energy: -336.462754 where: bonds (distance) C4'-P energy: -95.703 bonds (distance) P-C4' energy: -124.073 flat angles C4'-P-C4' energy: -72.570 flat angles P-C4'-P energy: -55.409 tors. eta vs tors. theta energy: 11.291 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 212 Temperature: 1.350000 Total energy: -499.852362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -499.852362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -499.852362 (E_RNA) where: Base-Base interactions energy: -209.549 where: short stacking energy: -125.255 Base-Backbone interact. energy: 2.231 local terms energy: -292.534446 where: bonds (distance) C4'-P energy: -103.431 bonds (distance) P-C4' energy: -98.228 flat angles C4'-P-C4' energy: -99.085 flat angles P-C4'-P energy: -40.050 tors. eta vs tors. theta energy: 48.260 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 213 Temperature: 0.900000 Total energy: -2199.697484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2199.697484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2199.697484 (E_RNA) where: Base-Base interactions energy: -1488.268 where: short stacking energy: -624.096 Base-Backbone interact. energy: -3.374 local terms energy: -708.055118 where: bonds (distance) C4'-P energy: -125.010 bonds (distance) P-C4' energy: -134.392 flat angles C4'-P-C4' energy: -154.172 flat angles P-C4'-P energy: -105.662 tors. eta vs tors. theta energy: -188.819 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 213 Temperature: 0.950000 Total energy: -2206.461358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2206.461358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2206.461358 (E_RNA) where: Base-Base interactions energy: -1487.927 where: short stacking energy: -608.119 Base-Backbone interact. energy: -0.143 local terms energy: -718.391575 where: bonds (distance) C4'-P energy: -139.739 bonds (distance) P-C4' energy: -127.816 flat angles C4'-P-C4' energy: -157.535 flat angles P-C4'-P energy: -99.843 tors. eta vs tors. theta energy: -193.457 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 213 Temperature: 1.000000 Total energy: -2019.391770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2019.391770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2019.391770 (E_RNA) where: Base-Base interactions energy: -1336.342 where: short stacking energy: -580.310 Base-Backbone interact. energy: -2.056 local terms energy: -680.993508 where: bonds (distance) C4'-P energy: -123.697 bonds (distance) P-C4' energy: -129.641 flat angles C4'-P-C4' energy: -140.505 flat angles P-C4'-P energy: -94.503 tors. eta vs tors. theta energy: -192.646 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: 10 ===================================== Write number: 213 Temperature: 1.050000 Total energy: -1958.644492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1958.644492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1958.644492 (E_RNA) where: Base-Base interactions energy: -1324.075 where: short stacking energy: -552.876 Base-Backbone interact. energy: -5.707 local terms energy: -628.861712 where: bonds (distance) C4'-P energy: -123.463 bonds (distance) P-C4' energy: -116.982 flat angles C4'-P-C4' energy: -135.564 flat angles P-C4'-P energy: -90.374 tors. eta vs tors. theta energy: -162.478 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 213 Temperature: 1.100000 Total energy: -1813.633294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1813.633294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1813.633294 (E_RNA) where: Base-Base interactions energy: -1252.143 where: short stacking energy: -498.739 Base-Backbone interact. energy: -0.452 local terms energy: -561.038140 where: bonds (distance) C4'-P energy: -89.294 bonds (distance) P-C4' energy: -125.999 flat angles C4'-P-C4' energy: -127.703 flat angles P-C4'-P energy: -83.581 tors. eta vs tors. theta energy: -134.461 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: 7 ===================================== Write number: 213 Temperature: 1.150000 Total energy: -1548.156310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1548.156310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1548.156310 (E_RNA) where: Base-Base interactions energy: -964.136 where: short stacking energy: -459.379 Base-Backbone interact. energy: -3.388 local terms energy: -580.632597 where: bonds (distance) C4'-P energy: -124.004 bonds (distance) P-C4' energy: -123.707 flat angles C4'-P-C4' energy: -137.555 flat angles P-C4'-P energy: -83.091 tors. eta vs tors. theta energy: -112.276 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 213 Temperature: 1.200000 Total energy: -1213.710483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1213.710483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1213.710483 (E_RNA) where: Base-Base interactions energy: -735.589 where: short stacking energy: -349.264 Base-Backbone interact. energy: -1.420 local terms energy: -476.701163 where: bonds (distance) C4'-P energy: -100.443 bonds (distance) P-C4' energy: -99.656 flat angles C4'-P-C4' energy: -129.696 flat angles P-C4'-P energy: -68.334 tors. eta vs tors. theta energy: -78.573 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: 3 ===================================== Write number: 213 Temperature: 1.250000 Total energy: -785.138647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -785.138647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -785.138647 (E_RNA) where: Base-Base interactions energy: -402.696 where: short stacking energy: -232.955 Base-Backbone interact. energy: -1.823 local terms energy: -380.619887 where: bonds (distance) C4'-P energy: -94.706 bonds (distance) P-C4' energy: -122.286 flat angles C4'-P-C4' energy: -102.287 flat angles P-C4'-P energy: -70.063 tors. eta vs tors. theta energy: 8.722 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 213 Temperature: 1.300000 Total energy: -545.948067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -545.948067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -545.948067 (E_RNA) where: Base-Base interactions energy: -188.092 where: short stacking energy: -134.515 Base-Backbone interact. energy: -0.404 local terms energy: -357.451430 where: bonds (distance) C4'-P energy: -88.898 bonds (distance) P-C4' energy: -128.814 flat angles C4'-P-C4' energy: -103.556 flat angles P-C4'-P energy: -64.912 tors. eta vs tors. theta energy: 28.729 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 213 Temperature: 1.350000 Total energy: -498.788043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -498.788043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -498.788043 (E_RNA) where: Base-Base interactions energy: -145.407 where: short stacking energy: -107.138 Base-Backbone interact. energy: -1.392 local terms energy: -351.989222 where: bonds (distance) C4'-P energy: -97.981 bonds (distance) P-C4' energy: -108.366 flat angles C4'-P-C4' energy: -98.748 flat angles P-C4'-P energy: -66.708 tors. eta vs tors. theta energy: 19.815 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 214 Temperature: 0.900000 Total energy: -2246.369862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2246.369862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2246.369862 (E_RNA) where: Base-Base interactions energy: -1539.385 where: short stacking energy: -647.696 Base-Backbone interact. energy: -1.188 local terms energy: -705.796987 where: bonds (distance) C4'-P energy: -129.820 bonds (distance) P-C4' energy: -118.237 flat angles C4'-P-C4' energy: -149.269 flat angles P-C4'-P energy: -108.479 tors. eta vs tors. theta energy: -199.991 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 214 Temperature: 0.950000 Total energy: -2159.271304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2159.271304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2159.271304 (E_RNA) where: Base-Base interactions energy: -1455.878 where: short stacking energy: -610.226 Base-Backbone interact. energy: -0.233 local terms energy: -703.160531 where: bonds (distance) C4'-P energy: -126.745 bonds (distance) P-C4' energy: -133.860 flat angles C4'-P-C4' energy: -150.624 flat angles P-C4'-P energy: -101.331 tors. eta vs tors. theta energy: -190.600 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 214 Temperature: 1.000000 Total energy: -2027.139294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2027.139294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2027.139294 (E_RNA) where: Base-Base interactions energy: -1338.513 where: short stacking energy: -569.449 Base-Backbone interact. energy: -3.020 local terms energy: -685.606846 where: bonds (distance) C4'-P energy: -118.852 bonds (distance) P-C4' energy: -138.753 flat angles C4'-P-C4' energy: -157.338 flat angles P-C4'-P energy: -100.168 tors. eta vs tors. theta energy: -170.496 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 214 Temperature: 1.050000 Total energy: -1968.348488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1968.348488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1968.348488 (E_RNA) where: Base-Base interactions energy: -1329.050 where: short stacking energy: -554.495 Base-Backbone interact. energy: -2.987 local terms energy: -636.311212 where: bonds (distance) C4'-P energy: -105.173 bonds (distance) P-C4' energy: -125.881 flat angles C4'-P-C4' energy: -144.059 flat angles P-C4'-P energy: -90.915 tors. eta vs tors. theta energy: -170.283 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: 8 ===================================== Write number: 214 Temperature: 1.100000 Total energy: -1833.273326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1833.273326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1833.273326 (E_RNA) where: Base-Base interactions energy: -1223.305 where: short stacking energy: -519.449 Base-Backbone interact. energy: -3.596 local terms energy: -606.372022 where: bonds (distance) C4'-P energy: -109.929 bonds (distance) P-C4' energy: -120.121 flat angles C4'-P-C4' energy: -131.278 flat angles P-C4'-P energy: -89.255 tors. eta vs tors. theta energy: -155.788 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: 214 Temperature: 1.150000 Total energy: -1549.745588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1549.745588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1549.745588 (E_RNA) where: Base-Base interactions energy: -1009.725 where: short stacking energy: -434.472 Base-Backbone interact. energy: 3.514 local terms energy: -543.534475 where: bonds (distance) C4'-P energy: -105.465 bonds (distance) P-C4' energy: -111.484 flat angles C4'-P-C4' energy: -124.267 flat angles P-C4'-P energy: -71.391 tors. eta vs tors. theta energy: -130.928 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: 1 ===================================== Write number: 214 Temperature: 1.200000 Total energy: -1183.603806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1183.603806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1183.603806 (E_RNA) where: Base-Base interactions energy: -726.802 where: short stacking energy: -334.138 Base-Backbone interact. energy: 1.109 local terms energy: -457.910531 where: bonds (distance) C4'-P energy: -104.304 bonds (distance) P-C4' energy: -115.658 flat angles C4'-P-C4' energy: -115.890 flat angles P-C4'-P energy: -65.128 tors. eta vs tors. theta energy: -56.930 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: 3 ===================================== Write number: 214 Temperature: 1.250000 Total energy: -761.703945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -761.703945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -761.703945 (E_RNA) where: Base-Base interactions energy: -372.453 where: short stacking energy: -228.754 Base-Backbone interact. energy: 11.104 local terms energy: -400.354909 where: bonds (distance) C4'-P energy: -99.433 bonds (distance) P-C4' energy: -122.459 flat angles C4'-P-C4' energy: -107.824 flat angles P-C4'-P energy: -62.265 tors. eta vs tors. theta energy: -8.375 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: 4 ===================================== Write number: 214 Temperature: 1.300000 Total energy: -590.257646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -590.257646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -590.257646 (E_RNA) where: Base-Base interactions energy: -237.853 where: short stacking energy: -117.941 Base-Backbone interact. energy: 4.934 local terms energy: -357.362693 where: bonds (distance) C4'-P energy: -113.099 bonds (distance) P-C4' energy: -128.681 flat angles C4'-P-C4' energy: -80.258 flat angles P-C4'-P energy: -63.677 tors. eta vs tors. theta energy: 28.352 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.024 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 214 Temperature: 1.350000 Total energy: -478.770184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -478.770184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -478.770184 (E_RNA) where: Base-Base interactions energy: -167.361 where: short stacking energy: -111.193 Base-Backbone interact. energy: 5.981 local terms energy: -317.390468 where: bonds (distance) C4'-P energy: -94.054 bonds (distance) P-C4' energy: -127.226 flat angles C4'-P-C4' energy: -95.458 flat angles P-C4'-P energy: -46.824 tors. eta vs tors. theta energy: 46.172 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 215 Temperature: 0.900000 Total energy: -2256.815205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2256.815205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2256.815205 (E_RNA) where: Base-Base interactions energy: -1519.764 where: short stacking energy: -640.867 Base-Backbone interact. energy: -2.453 local terms energy: -734.598133 where: bonds (distance) C4'-P energy: -125.644 bonds (distance) P-C4' energy: -138.561 flat angles C4'-P-C4' energy: -148.572 flat angles P-C4'-P energy: -111.991 tors. eta vs tors. theta energy: -209.830 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 215 Temperature: 0.950000 Total energy: -2166.773192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2166.773192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2166.773192 (E_RNA) where: Base-Base interactions energy: -1466.015 where: short stacking energy: -623.996 Base-Backbone interact. energy: -2.387 local terms energy: -698.371379 where: bonds (distance) C4'-P energy: -131.647 bonds (distance) P-C4' energy: -128.631 flat angles C4'-P-C4' energy: -140.539 flat angles P-C4'-P energy: -100.126 tors. eta vs tors. theta energy: -197.430 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: 6 ===================================== Write number: 215 Temperature: 1.000000 Total energy: -2069.847676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2069.847676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2069.847676 (E_RNA) where: Base-Base interactions energy: -1382.943 where: short stacking energy: -590.027 Base-Backbone interact. energy: -2.803 local terms energy: -684.101490 where: bonds (distance) C4'-P energy: -119.123 bonds (distance) P-C4' energy: -131.158 flat angles C4'-P-C4' energy: -150.664 flat angles P-C4'-P energy: -98.053 tors. eta vs tors. theta energy: -185.104 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: 10 ===================================== Write number: 215 Temperature: 1.050000 Total energy: -1959.754139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1959.754139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1959.754139 (E_RNA) where: Base-Base interactions energy: -1290.303 where: short stacking energy: -527.598 Base-Backbone interact. energy: -1.993 local terms energy: -667.458689 where: bonds (distance) C4'-P energy: -119.673 bonds (distance) P-C4' energy: -147.214 flat angles C4'-P-C4' energy: -140.941 flat angles P-C4'-P energy: -88.138 tors. eta vs tors. theta energy: -171.493 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 215 Temperature: 1.100000 Total energy: -1872.360280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1872.360280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1872.360280 (E_RNA) where: Base-Base interactions energy: -1239.577 where: short stacking energy: -525.001 Base-Backbone interact. energy: -3.464 local terms energy: -629.318572 where: bonds (distance) C4'-P energy: -118.643 bonds (distance) P-C4' energy: -125.667 flat angles C4'-P-C4' energy: -136.460 flat angles P-C4'-P energy: -88.895 tors. eta vs tors. theta energy: -159.654 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 215 Temperature: 1.150000 Total energy: -1516.382760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1516.382760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1516.382760 (E_RNA) where: Base-Base interactions energy: -965.210 where: short stacking energy: -416.744 Base-Backbone interact. energy: -1.141 local terms energy: -550.031174 where: bonds (distance) C4'-P energy: -104.203 bonds (distance) P-C4' energy: -121.159 flat angles C4'-P-C4' energy: -128.034 flat angles P-C4'-P energy: -74.904 tors. eta vs tors. theta energy: -121.732 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 215 Temperature: 1.200000 Total energy: -1206.794275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1206.794275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1206.794275 (E_RNA) where: Base-Base interactions energy: -719.354 where: short stacking energy: -355.327 Base-Backbone interact. energy: -0.306 local terms energy: -487.134352 where: bonds (distance) C4'-P energy: -99.198 bonds (distance) P-C4' energy: -104.134 flat angles C4'-P-C4' energy: -119.841 flat angles P-C4'-P energy: -70.299 tors. eta vs tors. theta energy: -93.663 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 215 Temperature: 1.250000 Total energy: -779.742238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -779.742238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -779.742238 (E_RNA) where: Base-Base interactions energy: -373.727 where: short stacking energy: -200.668 Base-Backbone interact. energy: -2.954 local terms energy: -403.061309 where: bonds (distance) C4'-P energy: -119.875 bonds (distance) P-C4' energy: -109.203 flat angles C4'-P-C4' energy: -113.612 flat angles P-C4'-P energy: -54.842 tors. eta vs tors. theta energy: -5.530 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: 9, replica: 4 ===================================== Write number: 215 Temperature: 1.300000 Total energy: -518.845595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -518.845595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -518.845595 (E_RNA) where: Base-Base interactions energy: -150.425 where: short stacking energy: -127.616 Base-Backbone interact. energy: -1.823 local terms energy: -366.597571 where: bonds (distance) C4'-P energy: -112.248 bonds (distance) P-C4' energy: -112.301 flat angles C4'-P-C4' energy: -98.765 flat angles P-C4'-P energy: -65.460 tors. eta vs tors. theta energy: 22.176 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: 10, replica: 9 ===================================== Write number: 215 Temperature: 1.350000 Total energy: -513.440372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -513.440372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -513.440372 (E_RNA) where: Base-Base interactions energy: -180.318 where: short stacking energy: -141.530 Base-Backbone interact. energy: 2.539 local terms energy: -335.660647 where: bonds (distance) C4'-P energy: -108.701 bonds (distance) P-C4' energy: -110.521 flat angles C4'-P-C4' energy: -86.037 flat angles P-C4'-P energy: -40.839 tors. eta vs tors. theta energy: 10.438 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: 1, replica: 2 ===================================== Write number: 216 Temperature: 0.900000 Total energy: -2263.524095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2263.524095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2263.524095 (E_RNA) where: Base-Base interactions energy: -1539.016 where: short stacking energy: -641.898 Base-Backbone interact. energy: -0.656 local terms energy: -723.852266 where: bonds (distance) C4'-P energy: -130.558 bonds (distance) P-C4' energy: -149.938 flat angles C4'-P-C4' energy: -158.456 flat angles P-C4'-P energy: -90.761 tors. eta vs tors. theta energy: -194.139 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 216 Temperature: 0.950000 Total energy: -2157.497217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2157.497217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2157.497217 (E_RNA) where: Base-Base interactions energy: -1472.345 where: short stacking energy: -613.911 Base-Backbone interact. energy: 3.096 local terms energy: -688.248156 where: bonds (distance) C4'-P energy: -130.998 bonds (distance) P-C4' energy: -124.850 flat angles C4'-P-C4' energy: -143.763 flat angles P-C4'-P energy: -84.591 tors. eta vs tors. theta energy: -204.046 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: 6 ===================================== Write number: 216 Temperature: 1.000000 Total energy: -2103.561593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2103.561593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2103.561593 (E_RNA) where: Base-Base interactions energy: -1415.915 where: short stacking energy: -612.620 Base-Backbone interact. energy: -1.720 local terms energy: -685.927050 where: bonds (distance) C4'-P energy: -135.212 bonds (distance) P-C4' energy: -138.249 flat angles C4'-P-C4' energy: -137.408 flat angles P-C4'-P energy: -86.987 tors. eta vs tors. theta energy: -188.071 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 216 Temperature: 1.050000 Total energy: -1964.953598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1964.953598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1964.953598 (E_RNA) where: Base-Base interactions energy: -1326.018 where: short stacking energy: -557.062 Base-Backbone interact. energy: -1.248 local terms energy: -637.688114 where: bonds (distance) C4'-P energy: -111.434 bonds (distance) P-C4' energy: -129.635 flat angles C4'-P-C4' energy: -134.114 flat angles P-C4'-P energy: -89.011 tors. eta vs tors. theta energy: -173.495 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 216 Temperature: 1.100000 Total energy: -1928.268053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1928.268053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1928.268053 (E_RNA) where: Base-Base interactions energy: -1295.534 where: short stacking energy: -535.792 Base-Backbone interact. energy: -2.093 local terms energy: -630.641481 where: bonds (distance) C4'-P energy: -118.046 bonds (distance) P-C4' energy: -119.045 flat angles C4'-P-C4' energy: -130.404 flat angles P-C4'-P energy: -84.844 tors. eta vs tors. theta energy: -178.302 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 216 Temperature: 1.150000 Total energy: -1543.538133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1543.538133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1543.538133 (E_RNA) where: Base-Base interactions energy: -976.454 where: short stacking energy: -439.919 Base-Backbone interact. energy: -1.406 local terms energy: -565.678421 where: bonds (distance) C4'-P energy: -112.185 bonds (distance) P-C4' energy: -129.629 flat angles C4'-P-C4' energy: -126.771 flat angles P-C4'-P energy: -65.671 tors. eta vs tors. theta energy: -131.423 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 216 Temperature: 1.200000 Total energy: -1060.712537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1060.712537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1060.712537 (E_RNA) where: Base-Base interactions energy: -614.878 where: short stacking energy: -294.709 Base-Backbone interact. energy: -4.545 local terms energy: -441.289320 where: bonds (distance) C4'-P energy: -105.652 bonds (distance) P-C4' energy: -119.179 flat angles C4'-P-C4' energy: -108.631 flat angles P-C4'-P energy: -56.906 tors. eta vs tors. theta energy: -50.921 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: 3 ===================================== Write number: 216 Temperature: 1.250000 Total energy: -808.470359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -808.470359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -808.470359 (E_RNA) where: Base-Base interactions energy: -417.987 where: short stacking energy: -220.782 Base-Backbone interact. energy: 9.050 local terms energy: -399.533393 where: bonds (distance) C4'-P energy: -113.400 bonds (distance) P-C4' energy: -112.986 flat angles C4'-P-C4' energy: -113.189 flat angles P-C4'-P energy: -51.734 tors. eta vs tors. theta energy: -8.225 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 216 Temperature: 1.300000 Total energy: -501.083676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -501.083676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -501.083676 (E_RNA) where: Base-Base interactions energy: -180.324 where: short stacking energy: -117.705 Base-Backbone interact. energy: -0.321 local terms energy: -320.438988 where: bonds (distance) C4'-P energy: -107.307 bonds (distance) P-C4' energy: -114.027 flat angles C4'-P-C4' energy: -90.190 flat angles P-C4'-P energy: -47.421 tors. eta vs tors. theta energy: 38.505 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: 4 ===================================== Write number: 216 Temperature: 1.350000 Total energy: -491.034110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -491.034110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -491.034110 (E_RNA) where: Base-Base interactions energy: -174.549 where: short stacking energy: -115.258 Base-Backbone interact. energy: -0.118 local terms energy: -316.367119 where: bonds (distance) C4'-P energy: -102.280 bonds (distance) P-C4' energy: -127.970 flat angles C4'-P-C4' energy: -88.894 flat angles P-C4'-P energy: -39.457 tors. eta vs tors. theta energy: 42.233 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: 2 ===================================== Write number: 217 Temperature: 0.900000 Total energy: -2240.686057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2240.686057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2240.686057 (E_RNA) where: Base-Base interactions energy: -1535.752 where: short stacking energy: -651.191 Base-Backbone interact. energy: -1.630 local terms energy: -703.304236 where: bonds (distance) C4'-P energy: -133.184 bonds (distance) P-C4' energy: -128.205 flat angles C4'-P-C4' energy: -139.333 flat angles P-C4'-P energy: -95.291 tors. eta vs tors. theta energy: -207.291 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 217 Temperature: 0.950000 Total energy: -2121.782474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2121.782474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2121.782474 (E_RNA) where: Base-Base interactions energy: -1397.713 where: short stacking energy: -585.093 Base-Backbone interact. energy: -2.633 local terms energy: -721.435898 where: bonds (distance) C4'-P energy: -124.542 bonds (distance) P-C4' energy: -131.698 flat angles C4'-P-C4' energy: -154.778 flat angles P-C4'-P energy: -111.501 tors. eta vs tors. theta energy: -198.916 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 217 Temperature: 1.000000 Total energy: -2087.410647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2087.410647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2087.410647 (E_RNA) where: Base-Base interactions energy: -1411.655 where: short stacking energy: -593.045 Base-Backbone interact. energy: -2.644 local terms energy: -673.111398 where: bonds (distance) C4'-P energy: -124.178 bonds (distance) P-C4' energy: -131.994 flat angles C4'-P-C4' energy: -140.565 flat angles P-C4'-P energy: -89.769 tors. eta vs tors. theta energy: -186.605 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 217 Temperature: 1.050000 Total energy: -1972.595515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1972.595515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1972.595515 (E_RNA) where: Base-Base interactions energy: -1350.296 where: short stacking energy: -579.219 Base-Backbone interact. energy: 0.614 local terms energy: -622.913647 where: bonds (distance) C4'-P energy: -110.384 bonds (distance) P-C4' energy: -115.682 flat angles C4'-P-C4' energy: -137.656 flat angles P-C4'-P energy: -81.922 tors. eta vs tors. theta energy: -177.269 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 217 Temperature: 1.100000 Total energy: -1836.687064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1836.687064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1836.687064 (E_RNA) where: Base-Base interactions energy: -1237.439 where: short stacking energy: -494.425 Base-Backbone interact. energy: -0.718 local terms energy: -598.530257 where: bonds (distance) C4'-P energy: -117.204 bonds (distance) P-C4' energy: -116.963 flat angles C4'-P-C4' energy: -127.072 flat angles P-C4'-P energy: -84.456 tors. eta vs tors. theta energy: -152.835 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: 217 Temperature: 1.150000 Total energy: -1555.479380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1555.479380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1555.479380 (E_RNA) where: Base-Base interactions energy: -1020.736 where: short stacking energy: -447.266 Base-Backbone interact. energy: 0.234 local terms energy: -536.649839 where: bonds (distance) C4'-P energy: -113.344 bonds (distance) P-C4' energy: -114.362 flat angles C4'-P-C4' energy: -119.808 flat angles P-C4'-P energy: -68.910 tors. eta vs tors. theta energy: -120.226 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 1.672 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 217 Temperature: 1.200000 Total energy: -1081.230439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1081.230439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1081.230439 (E_RNA) where: Base-Base interactions energy: -594.167 where: short stacking energy: -289.361 Base-Backbone interact. energy: -0.384 local terms energy: -486.679119 where: bonds (distance) C4'-P energy: -97.563 bonds (distance) P-C4' energy: -126.784 flat angles C4'-P-C4' energy: -113.824 flat angles P-C4'-P energy: -91.836 tors. eta vs tors. theta energy: -56.673 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 217 Temperature: 1.250000 Total energy: -750.550440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -750.550440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -750.550440 (E_RNA) where: Base-Base interactions energy: -351.700 where: short stacking energy: -188.819 Base-Backbone interact. energy: 0.321 local terms energy: -399.171225 where: bonds (distance) C4'-P energy: -116.291 bonds (distance) P-C4' energy: -115.313 flat angles C4'-P-C4' energy: -104.095 flat angles P-C4'-P energy: -60.364 tors. eta vs tors. theta energy: -3.110 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: 9 ===================================== Write number: 217 Temperature: 1.300000 Total energy: -517.272456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -517.272456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -517.272456 (E_RNA) where: Base-Base interactions energy: -156.821 where: short stacking energy: -122.066 Base-Backbone interact. energy: 2.633 local terms energy: -363.084727 where: bonds (distance) C4'-P energy: -109.606 bonds (distance) P-C4' energy: -114.631 flat angles C4'-P-C4' energy: -101.896 flat angles P-C4'-P energy: -58.591 tors. eta vs tors. theta energy: 21.640 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 217 Temperature: 1.350000 Total energy: -489.009875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -489.009875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -489.009875 (E_RNA) where: Base-Base interactions energy: -161.273 where: short stacking energy: -139.988 Base-Backbone interact. energy: -2.491 local terms energy: -325.246117 where: bonds (distance) C4'-P energy: -99.604 bonds (distance) P-C4' energy: -124.754 flat angles C4'-P-C4' energy: -90.336 flat angles P-C4'-P energy: -40.935 tors. eta vs tors. theta energy: 30.383 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 218 Temperature: 0.900000 Total energy: -2226.410667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2226.410667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2226.410667 (E_RNA) where: Base-Base interactions energy: -1528.824 where: short stacking energy: -632.671 Base-Backbone interact. energy: -2.557 local terms energy: -695.029268 where: bonds (distance) C4'-P energy: -125.872 bonds (distance) P-C4' energy: -125.708 flat angles C4'-P-C4' energy: -159.032 flat angles P-C4'-P energy: -90.467 tors. eta vs tors. theta energy: -193.952 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: 2, replica: 6 ===================================== Write number: 218 Temperature: 0.950000 Total energy: -2107.170427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2107.170427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2107.170427 (E_RNA) where: Base-Base interactions energy: -1404.627 where: short stacking energy: -600.712 Base-Backbone interact. energy: -1.093 local terms energy: -701.450483 where: bonds (distance) C4'-P energy: -128.324 bonds (distance) P-C4' energy: -131.356 flat angles C4'-P-C4' energy: -147.294 flat angles P-C4'-P energy: -95.236 tors. eta vs tors. theta energy: -199.240 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: 5 ===================================== Write number: 218 Temperature: 1.000000 Total energy: -2031.903119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2031.903119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2031.903119 (E_RNA) where: Base-Base interactions energy: -1383.291 where: short stacking energy: -580.932 Base-Backbone interact. energy: -1.613 local terms energy: -646.998833 where: bonds (distance) C4'-P energy: -108.833 bonds (distance) P-C4' energy: -130.397 flat angles C4'-P-C4' energy: -139.455 flat angles P-C4'-P energy: -94.123 tors. eta vs tors. theta energy: -174.192 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: 10 ===================================== Write number: 218 Temperature: 1.050000 Total energy: -2011.025151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2011.025151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2011.025151 (E_RNA) where: Base-Base interactions energy: -1359.868 where: short stacking energy: -566.457 Base-Backbone interact. energy: -3.602 local terms energy: -647.554824 where: bonds (distance) C4'-P energy: -122.334 bonds (distance) P-C4' energy: -111.116 flat angles C4'-P-C4' energy: -148.763 flat angles P-C4'-P energy: -90.698 tors. eta vs tors. theta energy: -174.644 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 218 Temperature: 1.100000 Total energy: -1836.911539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1836.911539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1836.911539 (E_RNA) where: Base-Base interactions energy: -1232.075 where: short stacking energy: -507.150 Base-Backbone interact. energy: 0.307 local terms energy: -605.142660 where: bonds (distance) C4'-P energy: -119.848 bonds (distance) P-C4' energy: -117.787 flat angles C4'-P-C4' energy: -124.133 flat angles P-C4'-P energy: -77.206 tors. eta vs tors. theta energy: -166.168 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: 7 ===================================== Write number: 218 Temperature: 1.150000 Total energy: -1512.798084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1512.798084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1512.798084 (E_RNA) where: Base-Base interactions energy: -982.234 where: short stacking energy: -429.403 Base-Backbone interact. energy: 0.829 local terms energy: -531.392744 where: bonds (distance) C4'-P energy: -113.237 bonds (distance) P-C4' energy: -120.532 flat angles C4'-P-C4' energy: -128.208 flat angles P-C4'-P energy: -63.830 tors. eta vs tors. theta energy: -105.586 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 218 Temperature: 1.200000 Total energy: -1115.574771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1115.574771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1115.574771 (E_RNA) where: Base-Base interactions energy: -651.163 where: short stacking energy: -303.495 Base-Backbone interact. energy: -2.983 local terms energy: -461.429000 where: bonds (distance) C4'-P energy: -110.346 bonds (distance) P-C4' energy: -111.916 flat angles C4'-P-C4' energy: -114.954 flat angles P-C4'-P energy: -71.468 tors. eta vs tors. theta energy: -52.745 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 218 Temperature: 1.250000 Total energy: -799.680873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -799.680873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -799.680873 (E_RNA) where: Base-Base interactions energy: -380.654 where: short stacking energy: -179.900 Base-Backbone interact. energy: 1.609 local terms energy: -420.636234 where: bonds (distance) C4'-P energy: -101.329 bonds (distance) P-C4' energy: -106.799 flat angles C4'-P-C4' energy: -110.827 flat angles P-C4'-P energy: -84.778 tors. eta vs tors. theta energy: -16.903 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: 9 ===================================== Write number: 218 Temperature: 1.300000 Total energy: -551.651172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -551.651172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -551.651172 (E_RNA) where: Base-Base interactions energy: -193.997 where: short stacking energy: -138.843 Base-Backbone interact. energy: -2.324 local terms energy: -355.330124 where: bonds (distance) C4'-P energy: -112.270 bonds (distance) P-C4' energy: -109.392 flat angles C4'-P-C4' energy: -98.198 flat angles P-C4'-P energy: -56.529 tors. eta vs tors. theta energy: 21.060 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 218 Temperature: 1.350000 Total energy: -503.776047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -503.776047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -503.776047 (E_RNA) where: Base-Base interactions energy: -158.316 where: short stacking energy: -127.233 Base-Backbone interact. energy: 9.024 local terms energy: -354.483712 where: bonds (distance) C4'-P energy: -111.182 bonds (distance) P-C4' energy: -119.157 flat angles C4'-P-C4' energy: -97.545 flat angles P-C4'-P energy: -53.866 tors. eta vs tors. theta energy: 27.266 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: 2 ===================================== Write number: 219 Temperature: 0.900000 Total energy: -2254.146772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2254.146772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2254.146772 (E_RNA) where: Base-Base interactions energy: -1528.339 where: short stacking energy: -642.819 Base-Backbone interact. energy: -1.323 local terms energy: -724.484358 where: bonds (distance) C4'-P energy: -135.855 bonds (distance) P-C4' energy: -133.287 flat angles C4'-P-C4' energy: -148.716 flat angles P-C4'-P energy: -108.827 tors. eta vs tors. theta energy: -197.799 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: 6 ===================================== Write number: 219 Temperature: 0.950000 Total energy: -2119.673267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2119.673267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2119.673267 (E_RNA) where: Base-Base interactions energy: -1408.159 where: short stacking energy: -616.723 Base-Backbone interact. energy: -0.783 local terms energy: -710.731385 where: bonds (distance) C4'-P energy: -139.943 bonds (distance) P-C4' energy: -128.875 flat angles C4'-P-C4' energy: -147.064 flat angles P-C4'-P energy: -99.626 tors. eta vs tors. theta energy: -195.224 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 219 Temperature: 1.000000 Total energy: -2068.905002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2068.905002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2068.905002 (E_RNA) where: Base-Base interactions energy: -1398.418 where: short stacking energy: -599.324 Base-Backbone interact. energy: -2.069 local terms energy: -668.418761 where: bonds (distance) C4'-P energy: -128.307 bonds (distance) P-C4' energy: -131.532 flat angles C4'-P-C4' energy: -140.168 flat angles P-C4'-P energy: -82.951 tors. eta vs tors. theta energy: -185.461 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 219 Temperature: 1.050000 Total energy: -1971.068586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1971.068586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1971.068586 (E_RNA) where: Base-Base interactions energy: -1326.218 where: short stacking energy: -567.919 Base-Backbone interact. energy: -2.830 local terms energy: -642.020573 where: bonds (distance) C4'-P energy: -134.981 bonds (distance) P-C4' energy: -133.144 flat angles C4'-P-C4' energy: -130.823 flat angles P-C4'-P energy: -82.314 tors. eta vs tors. theta energy: -160.759 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: 219 Temperature: 1.100000 Total energy: -1785.879404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1785.879404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1785.879404 (E_RNA) where: Base-Base interactions energy: -1161.082 where: short stacking energy: -477.802 Base-Backbone interact. energy: 0.133 local terms energy: -624.930291 where: bonds (distance) C4'-P energy: -131.365 bonds (distance) P-C4' energy: -132.282 flat angles C4'-P-C4' energy: -132.708 flat angles P-C4'-P energy: -77.851 tors. eta vs tors. theta energy: -150.725 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 219 Temperature: 1.150000 Total energy: -1552.993225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1552.993225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1552.993225 (E_RNA) where: Base-Base interactions energy: -1021.765 where: short stacking energy: -447.081 Base-Backbone interact. energy: -4.730 local terms energy: -526.497731 where: bonds (distance) C4'-P energy: -108.652 bonds (distance) P-C4' energy: -98.838 flat angles C4'-P-C4' energy: -111.606 flat angles P-C4'-P energy: -87.916 tors. eta vs tors. theta energy: -119.486 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 219 Temperature: 1.200000 Total energy: -1172.743102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1172.743102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1172.743102 (E_RNA) where: Base-Base interactions energy: -714.598 where: short stacking energy: -330.711 Base-Backbone interact. energy: -2.168 local terms energy: -455.977188 where: bonds (distance) C4'-P energy: -113.735 bonds (distance) P-C4' energy: -120.917 flat angles C4'-P-C4' energy: -107.811 flat angles P-C4'-P energy: -55.301 tors. eta vs tors. theta energy: -58.213 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 219 Temperature: 1.250000 Total energy: -725.255939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -725.255939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -725.255939 (E_RNA) where: Base-Base interactions energy: -320.489 where: short stacking energy: -180.869 Base-Backbone interact. energy: -5.381 local terms energy: -399.386181 where: bonds (distance) C4'-P energy: -116.607 bonds (distance) P-C4' energy: -114.395 flat angles C4'-P-C4' energy: -98.999 flat angles P-C4'-P energy: -69.061 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: 9, replica: 9 ===================================== Write number: 219 Temperature: 1.300000 Total energy: -581.328343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -581.328343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -581.328343 (E_RNA) where: Base-Base interactions energy: -224.320 where: short stacking energy: -151.915 Base-Backbone interact. energy: -5.116 local terms energy: -351.892477 where: bonds (distance) C4'-P energy: -108.847 bonds (distance) P-C4' energy: -120.555 flat angles C4'-P-C4' energy: -81.625 flat angles P-C4'-P energy: -39.545 tors. eta vs tors. theta energy: -1.320 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: 10, replica: 4 ===================================== Write number: 219 Temperature: 1.350000 Total energy: -523.354183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -523.354183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -523.354183 (E_RNA) where: Base-Base interactions energy: -177.433 where: short stacking energy: -138.054 Base-Backbone interact. energy: 9.043 local terms energy: -354.963391 where: bonds (distance) C4'-P energy: -109.081 bonds (distance) P-C4' energy: -117.819 flat angles C4'-P-C4' energy: -90.131 flat angles P-C4'-P energy: -59.519 tors. eta vs tors. theta energy: 21.587 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 220 Temperature: 0.900000 Total energy: -2242.801898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2242.801898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2242.801898 (E_RNA) where: Base-Base interactions energy: -1517.764 where: short stacking energy: -645.925 Base-Backbone interact. energy: -1.364 local terms energy: -723.673071 where: bonds (distance) C4'-P energy: -137.712 bonds (distance) P-C4' energy: -130.923 flat angles C4'-P-C4' energy: -148.791 flat angles P-C4'-P energy: -101.685 tors. eta vs tors. theta energy: -204.562 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 220 Temperature: 0.950000 Total energy: -2109.719554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2109.719554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2109.719554 (E_RNA) where: Base-Base interactions energy: -1401.564 where: short stacking energy: -579.590 Base-Backbone interact. energy: -3.584 local terms energy: -704.572380 where: bonds (distance) C4'-P energy: -148.549 bonds (distance) P-C4' energy: -135.426 flat angles C4'-P-C4' energy: -154.095 flat angles P-C4'-P energy: -77.538 tors. eta vs tors. theta energy: -188.964 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 220 Temperature: 1.000000 Total energy: -2047.027217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2047.027217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2047.027217 (E_RNA) where: Base-Base interactions energy: -1390.275 where: short stacking energy: -615.191 Base-Backbone interact. energy: -4.068 local terms energy: -652.684346 where: bonds (distance) C4'-P energy: -115.501 bonds (distance) P-C4' energy: -129.138 flat angles C4'-P-C4' energy: -139.508 flat angles P-C4'-P energy: -90.097 tors. eta vs tors. theta energy: -178.440 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 220 Temperature: 1.050000 Total energy: -1959.924310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1959.924310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1959.924310 (E_RNA) where: Base-Base interactions energy: -1360.479 where: short stacking energy: -541.705 Base-Backbone interact. energy: -0.750 local terms energy: -598.694940 where: bonds (distance) C4'-P energy: -110.823 bonds (distance) P-C4' energy: -126.429 flat angles C4'-P-C4' energy: -124.051 flat angles P-C4'-P energy: -72.814 tors. eta vs tors. theta energy: -164.577 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 220 Temperature: 1.100000 Total energy: -1835.028844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1835.028844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1835.028844 (E_RNA) where: Base-Base interactions energy: -1224.864 where: short stacking energy: -506.043 Base-Backbone interact. energy: -3.319 local terms energy: -606.846230 where: bonds (distance) C4'-P energy: -124.748 bonds (distance) P-C4' energy: -105.245 flat angles C4'-P-C4' energy: -139.954 flat angles P-C4'-P energy: -77.254 tors. eta vs tors. theta energy: -159.645 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 220 Temperature: 1.150000 Total energy: -1577.433135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1577.433135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1577.433135 (E_RNA) where: Base-Base interactions energy: -980.229 where: short stacking energy: -426.406 Base-Backbone interact. energy: 1.436 local terms energy: -598.639852 where: bonds (distance) C4'-P energy: -134.649 bonds (distance) P-C4' energy: -122.721 flat angles C4'-P-C4' energy: -131.113 flat angles P-C4'-P energy: -87.833 tors. eta vs tors. theta energy: -122.324 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: 1 ===================================== Write number: 220 Temperature: 1.200000 Total energy: -1089.597508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1089.597508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1089.597508 (E_RNA) where: Base-Base interactions energy: -614.562 where: short stacking energy: -288.678 Base-Backbone interact. energy: -1.941 local terms energy: -473.093758 where: bonds (distance) C4'-P energy: -110.912 bonds (distance) P-C4' energy: -127.338 flat angles C4'-P-C4' energy: -111.123 flat angles P-C4'-P energy: -67.568 tors. eta vs tors. theta energy: -56.153 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: 8, replica: 3 ===================================== Write number: 220 Temperature: 1.250000 Total energy: -717.737829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -717.737829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -717.737829 (E_RNA) where: Base-Base interactions energy: -356.537 where: short stacking energy: -212.875 Base-Backbone interact. energy: -3.475 local terms energy: -357.725910 where: bonds (distance) C4'-P energy: -97.029 bonds (distance) P-C4' energy: -111.596 flat angles C4'-P-C4' energy: -95.997 flat angles P-C4'-P energy: -59.746 tors. eta vs tors. theta energy: 6.643 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 220 Temperature: 1.300000 Total energy: -657.472571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -657.472571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -657.472571 (E_RNA) where: Base-Base interactions energy: -277.424 where: short stacking energy: -148.369 Base-Backbone interact. energy: -0.981 local terms energy: -379.067131 where: bonds (distance) C4'-P energy: -113.982 bonds (distance) P-C4' energy: -113.803 flat angles C4'-P-C4' energy: -102.216 flat angles P-C4'-P energy: -70.256 tors. eta vs tors. theta energy: 21.189 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: 4 ===================================== Write number: 220 Temperature: 1.350000 Total energy: -493.625338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -493.625338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -493.625338 (E_RNA) where: Base-Base interactions energy: -137.109 where: short stacking energy: -108.594 Base-Backbone interact. energy: 2.431 local terms energy: -358.947925 where: bonds (distance) C4'-P energy: -111.541 bonds (distance) P-C4' energy: -113.010 flat angles C4'-P-C4' energy: -86.154 flat angles P-C4'-P energy: -70.776 tors. eta vs tors. theta energy: 22.534 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: 1, replica: 2 ===================================== Write number: 221 Temperature: 0.900000 Total energy: -2252.942215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2252.942215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2252.942215 (E_RNA) where: Base-Base interactions energy: -1523.772 where: short stacking energy: -634.353 Base-Backbone interact. energy: -1.546 local terms energy: -727.624109 where: bonds (distance) C4'-P energy: -141.318 bonds (distance) P-C4' energy: -140.911 flat angles C4'-P-C4' energy: -147.280 flat angles P-C4'-P energy: -104.758 tors. eta vs tors. theta energy: -193.358 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 221 Temperature: 0.950000 Total energy: -2109.160520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2109.160520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2109.160520 (E_RNA) where: Base-Base interactions energy: -1412.726 where: short stacking energy: -603.102 Base-Backbone interact. energy: -3.072 local terms energy: -693.362560 where: bonds (distance) C4'-P energy: -127.981 bonds (distance) P-C4' energy: -134.195 flat angles C4'-P-C4' energy: -141.083 flat angles P-C4'-P energy: -92.930 tors. eta vs tors. theta energy: -197.174 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 221 Temperature: 1.000000 Total energy: -2086.844933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2086.844933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2086.844933 (E_RNA) where: Base-Base interactions energy: -1407.438 where: short stacking energy: -584.815 Base-Backbone interact. energy: 1.425 local terms energy: -680.831935 where: bonds (distance) C4'-P energy: -122.126 bonds (distance) P-C4' energy: -138.576 flat angles C4'-P-C4' energy: -142.840 flat angles P-C4'-P energy: -96.339 tors. eta vs tors. theta energy: -180.951 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: 10 ===================================== Write number: 221 Temperature: 1.050000 Total energy: -1958.876518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1958.876518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1958.876518 (E_RNA) where: Base-Base interactions energy: -1324.755 where: short stacking energy: -576.160 Base-Backbone interact. energy: -0.304 local terms energy: -633.817068 where: bonds (distance) C4'-P energy: -108.216 bonds (distance) P-C4' energy: -121.393 flat angles C4'-P-C4' energy: -139.289 flat angles P-C4'-P energy: -88.070 tors. eta vs tors. theta energy: -176.849 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: 5, replica: 8 ===================================== Write number: 221 Temperature: 1.100000 Total energy: -1913.274959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1913.274959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1913.274959 (E_RNA) where: Base-Base interactions energy: -1289.959 where: short stacking energy: -531.710 Base-Backbone interact. energy: -2.367 local terms energy: -620.949269 where: bonds (distance) C4'-P energy: -122.798 bonds (distance) P-C4' energy: -124.469 flat angles C4'-P-C4' energy: -128.379 flat angles P-C4'-P energy: -97.795 tors. eta vs tors. theta energy: -147.508 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: 7 ===================================== Write number: 221 Temperature: 1.150000 Total energy: -1571.545386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1571.545386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1571.545386 (E_RNA) where: Base-Base interactions energy: -1014.525 where: short stacking energy: -437.096 Base-Backbone interact. energy: -0.724 local terms energy: -556.297038 where: bonds (distance) C4'-P energy: -115.336 bonds (distance) P-C4' energy: -116.105 flat angles C4'-P-C4' energy: -124.708 flat angles P-C4'-P energy: -76.903 tors. eta vs tors. theta energy: -123.245 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: 1 ===================================== Write number: 221 Temperature: 1.200000 Total energy: -1023.485043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1023.485043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1023.485043 (E_RNA) where: Base-Base interactions energy: -579.837 where: short stacking energy: -285.862 Base-Backbone interact. energy: -1.714 local terms energy: -443.487033 where: bonds (distance) C4'-P energy: -121.649 bonds (distance) P-C4' energy: -123.876 flat angles C4'-P-C4' energy: -105.958 flat angles P-C4'-P energy: -68.490 tors. eta vs tors. theta energy: -23.514 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 1.553 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 221 Temperature: 1.250000 Total energy: -764.465277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -764.465277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -764.465277 (E_RNA) where: Base-Base interactions energy: -371.114 where: short stacking energy: -218.899 Base-Backbone interact. energy: -2.109 local terms energy: -391.242146 where: bonds (distance) C4'-P energy: -111.406 bonds (distance) P-C4' energy: -105.265 flat angles C4'-P-C4' energy: -94.218 flat angles P-C4'-P energy: -70.804 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: 9, replica: 3 ===================================== Write number: 221 Temperature: 1.300000 Total energy: -600.820518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -600.820518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -600.820518 (E_RNA) where: Base-Base interactions energy: -245.129 where: short stacking energy: -153.265 Base-Backbone interact. energy: 8.298 local terms energy: -363.988845 where: bonds (distance) C4'-P energy: -107.340 bonds (distance) P-C4' energy: -123.662 flat angles C4'-P-C4' energy: -98.457 flat angles P-C4'-P energy: -39.375 tors. eta vs tors. theta energy: 4.844 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 221 Temperature: 1.350000 Total energy: -511.146659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -511.146659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -511.146659 (E_RNA) where: Base-Base interactions energy: -186.535 where: short stacking energy: -138.648 Base-Backbone interact. energy: -2.619 local terms energy: -321.993474 where: bonds (distance) C4'-P energy: -86.448 bonds (distance) P-C4' energy: -101.679 flat angles C4'-P-C4' energy: -79.695 flat angles P-C4'-P energy: -57.292 tors. eta vs tors. theta energy: 3.120 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 222 Temperature: 0.900000 Total energy: -2264.232720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2264.232720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2264.232720 (E_RNA) where: Base-Base interactions energy: -1522.123 where: short stacking energy: -632.521 Base-Backbone interact. energy: -0.712 local terms energy: -741.398377 where: bonds (distance) C4'-P energy: -140.013 bonds (distance) P-C4' energy: -147.645 flat angles C4'-P-C4' energy: -149.006 flat angles P-C4'-P energy: -97.804 tors. eta vs tors. theta energy: -206.930 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 222 Temperature: 0.950000 Total energy: -2099.682585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2099.682585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2099.682585 (E_RNA) where: Base-Base interactions energy: -1423.437 where: short stacking energy: -599.062 Base-Backbone interact. energy: -1.617 local terms energy: -674.628726 where: bonds (distance) C4'-P energy: -123.750 bonds (distance) P-C4' energy: -120.471 flat angles C4'-P-C4' energy: -148.695 flat angles P-C4'-P energy: -95.358 tors. eta vs tors. theta energy: -186.355 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 222 Temperature: 1.000000 Total energy: -2054.054228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2054.054228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2054.054228 (E_RNA) where: Base-Base interactions energy: -1384.246 where: short stacking energy: -606.766 Base-Backbone interact. energy: -4.611 local terms energy: -665.196688 where: bonds (distance) C4'-P energy: -117.721 bonds (distance) P-C4' energy: -134.381 flat angles C4'-P-C4' energy: -139.931 flat angles P-C4'-P energy: -93.918 tors. eta vs tors. theta energy: -179.247 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: 10 ===================================== Write number: 222 Temperature: 1.050000 Total energy: -2003.709408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2003.709408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2003.709408 (E_RNA) where: Base-Base interactions energy: -1347.137 where: short stacking energy: -581.943 Base-Backbone interact. energy: -2.469 local terms energy: -654.103937 where: bonds (distance) C4'-P energy: -119.171 bonds (distance) P-C4' energy: -126.604 flat angles C4'-P-C4' energy: -139.984 flat angles P-C4'-P energy: -87.892 tors. eta vs tors. theta energy: -180.452 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: 222 Temperature: 1.100000 Total energy: -1865.936697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1865.936697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1865.936697 (E_RNA) where: Base-Base interactions energy: -1276.217 where: short stacking energy: -511.897 Base-Backbone interact. energy: 0.366 local terms energy: -590.085329 where: bonds (distance) C4'-P energy: -121.748 bonds (distance) P-C4' energy: -107.799 flat angles C4'-P-C4' energy: -131.150 flat angles P-C4'-P energy: -73.676 tors. eta vs tors. theta energy: -155.712 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 222 Temperature: 1.150000 Total energy: -1541.818622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1541.818622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1541.818622 (E_RNA) where: Base-Base interactions energy: -1016.279 where: short stacking energy: -415.555 Base-Backbone interact. energy: -0.999 local terms energy: -524.539989 where: bonds (distance) C4'-P energy: -108.761 bonds (distance) P-C4' energy: -120.723 flat angles C4'-P-C4' energy: -114.113 flat angles P-C4'-P energy: -73.990 tors. eta vs tors. theta energy: -106.954 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: 1 ===================================== Write number: 222 Temperature: 1.200000 Total energy: -1051.689602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1051.689602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1051.689602 (E_RNA) where: Base-Base interactions energy: -595.588 where: short stacking energy: -258.986 Base-Backbone interact. energy: -0.750 local terms energy: -455.750801 where: bonds (distance) C4'-P energy: -117.516 bonds (distance) P-C4' energy: -128.000 flat angles C4'-P-C4' energy: -104.180 flat angles P-C4'-P energy: -71.648 tors. eta vs tors. theta energy: -34.407 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.399 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 222 Temperature: 1.250000 Total energy: -745.016614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -745.016614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -745.016614 (E_RNA) where: Base-Base interactions energy: -341.188 where: short stacking energy: -205.343 Base-Backbone interact. energy: -2.079 local terms energy: -401.749621 where: bonds (distance) C4'-P energy: -102.924 bonds (distance) P-C4' energy: -122.081 flat angles C4'-P-C4' energy: -107.199 flat angles P-C4'-P energy: -57.371 tors. eta vs tors. theta energy: -12.175 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 222 Temperature: 1.300000 Total energy: -636.571390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -636.571390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -636.571390 (E_RNA) where: Base-Base interactions energy: -281.328 where: short stacking energy: -150.313 Base-Backbone interact. energy: -0.475 local terms energy: -354.767716 where: bonds (distance) C4'-P energy: -109.052 bonds (distance) P-C4' energy: -102.412 flat angles C4'-P-C4' energy: -105.501 flat angles P-C4'-P energy: -57.844 tors. eta vs tors. theta energy: 20.041 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 222 Temperature: 1.350000 Total energy: -482.003207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -482.003207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -482.003207 (E_RNA) where: Base-Base interactions energy: -168.282 where: short stacking energy: -136.104 Base-Backbone interact. energy: 6.887 local terms energy: -320.607978 where: bonds (distance) C4'-P energy: -101.441 bonds (distance) P-C4' energy: -100.740 flat angles C4'-P-C4' energy: -90.980 flat angles P-C4'-P energy: -52.372 tors. eta vs tors. theta energy: 24.925 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 223 Temperature: 0.900000 Total energy: -2255.077354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2255.077354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2255.077354 (E_RNA) where: Base-Base interactions energy: -1530.927 where: short stacking energy: -644.543 Base-Backbone interact. energy: -3.038 local terms energy: -721.111690 where: bonds (distance) C4'-P energy: -125.109 bonds (distance) P-C4' energy: -137.436 flat angles C4'-P-C4' energy: -166.235 flat angles P-C4'-P energy: -100.469 tors. eta vs tors. theta energy: -191.863 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: 6 ===================================== Write number: 223 Temperature: 0.950000 Total energy: -2117.123181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2117.123181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2117.123181 (E_RNA) where: Base-Base interactions energy: -1407.416 where: short stacking energy: -609.334 Base-Backbone interact. energy: 2.579 local terms energy: -712.285822 where: bonds (distance) C4'-P energy: -136.036 bonds (distance) P-C4' energy: -127.936 flat angles C4'-P-C4' energy: -147.680 flat angles P-C4'-P energy: -104.401 tors. eta vs tors. theta energy: -196.233 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: 5 ===================================== Write number: 223 Temperature: 1.000000 Total energy: -2085.214912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2085.214912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2085.214912 (E_RNA) where: Base-Base interactions energy: -1400.271 where: short stacking energy: -593.642 Base-Backbone interact. energy: -3.401 local terms energy: -681.542953 where: bonds (distance) C4'-P energy: -110.786 bonds (distance) P-C4' energy: -129.047 flat angles C4'-P-C4' energy: -143.808 flat angles P-C4'-P energy: -104.452 tors. eta vs tors. theta energy: -193.450 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 223 Temperature: 1.050000 Total energy: -1990.045251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1990.045251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1990.045251 (E_RNA) where: Base-Base interactions energy: -1369.032 where: short stacking energy: -591.122 Base-Backbone interact. energy: 2.088 local terms energy: -623.101496 where: bonds (distance) C4'-P energy: -113.046 bonds (distance) P-C4' energy: -121.825 flat angles C4'-P-C4' energy: -130.542 flat angles P-C4'-P energy: -81.323 tors. eta vs tors. theta energy: -176.365 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 223 Temperature: 1.100000 Total energy: -1884.831357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1884.831357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1884.831357 (E_RNA) where: Base-Base interactions energy: -1276.591 where: short stacking energy: -534.105 Base-Backbone interact. energy: -2.626 local terms energy: -605.614271 where: bonds (distance) C4'-P energy: -116.606 bonds (distance) P-C4' energy: -119.804 flat angles C4'-P-C4' energy: -124.629 flat angles P-C4'-P energy: -86.711 tors. eta vs tors. theta energy: -157.864 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: 7 ===================================== Write number: 223 Temperature: 1.150000 Total energy: -1589.057079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1589.057079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1589.057079 (E_RNA) where: Base-Base interactions energy: -1059.149 where: short stacking energy: -446.399 Base-Backbone interact. energy: -1.481 local terms energy: -528.426939 where: bonds (distance) C4'-P energy: -90.201 bonds (distance) P-C4' energy: -106.417 flat angles C4'-P-C4' energy: -129.186 flat angles P-C4'-P energy: -81.896 tors. eta vs tors. theta energy: -120.727 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 223 Temperature: 1.200000 Total energy: -1109.969099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1109.969099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1109.969099 (E_RNA) where: Base-Base interactions energy: -642.623 where: short stacking energy: -301.887 Base-Backbone interact. energy: 1.713 local terms energy: -469.059038 where: bonds (distance) C4'-P energy: -100.037 bonds (distance) P-C4' energy: -123.499 flat angles C4'-P-C4' energy: -112.764 flat angles P-C4'-P energy: -81.389 tors. eta vs tors. theta energy: -51.370 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: 9 ===================================== Write number: 223 Temperature: 1.250000 Total energy: -686.376939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -686.376939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -686.376939 (E_RNA) where: Base-Base interactions energy: -297.727 where: short stacking energy: -182.876 Base-Backbone interact. energy: 6.110 local terms energy: -394.759798 where: bonds (distance) C4'-P energy: -122.853 bonds (distance) P-C4' energy: -125.559 flat angles C4'-P-C4' energy: -97.889 flat angles P-C4'-P energy: -57.277 tors. eta vs tors. theta energy: 8.818 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 223 Temperature: 1.300000 Total energy: -651.180709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -651.180709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -651.180709 (E_RNA) where: Base-Base interactions energy: -297.642 where: short stacking energy: -213.141 Base-Backbone interact. energy: -0.288 local terms energy: -353.250515 where: bonds (distance) C4'-P energy: -111.488 bonds (distance) P-C4' energy: -102.181 flat angles C4'-P-C4' energy: -103.752 flat angles P-C4'-P energy: -47.706 tors. eta vs tors. theta energy: 11.877 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 223 Temperature: 1.350000 Total energy: -483.422528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -483.422528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -483.422528 (E_RNA) where: Base-Base interactions energy: -181.184 where: short stacking energy: -152.317 Base-Backbone interact. energy: -0.183 local terms energy: -302.054940 where: bonds (distance) C4'-P energy: -111.645 bonds (distance) P-C4' energy: -93.578 flat angles C4'-P-C4' energy: -73.769 flat angles P-C4'-P energy: -57.479 tors. eta vs tors. theta energy: 34.417 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 224 Temperature: 0.900000 Total energy: -2246.827618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2246.827618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2246.827618 (E_RNA) where: Base-Base interactions energy: -1525.765 where: short stacking energy: -621.373 Base-Backbone interact. energy: -2.058 local terms energy: -719.004938 where: bonds (distance) C4'-P energy: -124.010 bonds (distance) P-C4' energy: -127.433 flat angles C4'-P-C4' energy: -154.353 flat angles P-C4'-P energy: -107.596 tors. eta vs tors. theta energy: -205.613 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 224 Temperature: 0.950000 Total energy: -2157.044089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2157.044089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2157.044089 (E_RNA) where: Base-Base interactions energy: -1442.831 where: short stacking energy: -602.203 Base-Backbone interact. energy: -4.497 local terms energy: -709.716311 where: bonds (distance) C4'-P energy: -139.868 bonds (distance) P-C4' energy: -119.772 flat angles C4'-P-C4' energy: -154.303 flat angles P-C4'-P energy: -102.746 tors. eta vs tors. theta energy: -193.026 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: 5 ===================================== Write number: 224 Temperature: 1.000000 Total energy: -2056.730670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2056.730670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2056.730670 (E_RNA) where: Base-Base interactions energy: -1369.436 where: short stacking energy: -589.139 Base-Backbone interact. energy: -1.179 local terms energy: -686.115651 where: bonds (distance) C4'-P energy: -115.767 bonds (distance) P-C4' energy: -139.337 flat angles C4'-P-C4' energy: -146.983 flat angles P-C4'-P energy: -101.607 tors. eta vs tors. theta energy: -182.422 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 224 Temperature: 1.050000 Total energy: -1948.535004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1948.535004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1948.535004 (E_RNA) where: Base-Base interactions energy: -1323.507 where: short stacking energy: -562.883 Base-Backbone interact. energy: -4.826 local terms energy: -620.202577 where: bonds (distance) C4'-P energy: -110.542 bonds (distance) P-C4' energy: -130.389 flat angles C4'-P-C4' energy: -146.230 flat angles P-C4'-P energy: -62.953 tors. eta vs tors. theta energy: -170.089 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 224 Temperature: 1.100000 Total energy: -1783.621132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1783.621132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1783.621132 (E_RNA) where: Base-Base interactions energy: -1187.974 where: short stacking energy: -499.341 Base-Backbone interact. energy: -1.492 local terms energy: -594.155373 where: bonds (distance) C4'-P energy: -100.782 bonds (distance) P-C4' energy: -130.525 flat angles C4'-P-C4' energy: -135.093 flat angles P-C4'-P energy: -77.375 tors. eta vs tors. theta energy: -150.380 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 224 Temperature: 1.150000 Total energy: -1640.583972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1640.583972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1640.583972 (E_RNA) where: Base-Base interactions energy: -1068.454 where: short stacking energy: -472.824 Base-Backbone interact. energy: -0.674 local terms energy: -571.456200 where: bonds (distance) C4'-P energy: -123.427 bonds (distance) P-C4' energy: -115.779 flat angles C4'-P-C4' energy: -110.679 flat angles P-C4'-P energy: -87.429 tors. eta vs tors. theta energy: -134.143 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: 1 ===================================== Write number: 224 Temperature: 1.200000 Total energy: -1064.398016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1064.398016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1064.398016 (E_RNA) where: Base-Base interactions energy: -619.725 where: short stacking energy: -259.070 Base-Backbone interact. energy: 2.861 local terms energy: -447.533928 where: bonds (distance) C4'-P energy: -131.472 bonds (distance) P-C4' energy: -117.452 flat angles C4'-P-C4' energy: -105.094 flat angles P-C4'-P energy: -55.104 tors. eta vs tors. theta energy: -38.411 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: 9 ===================================== Write number: 224 Temperature: 1.250000 Total energy: -696.424091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -696.424091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -696.424091 (E_RNA) where: Base-Base interactions energy: -333.347 where: short stacking energy: -213.164 Base-Backbone interact. energy: 4.306 local terms energy: -367.383062 where: bonds (distance) C4'-P energy: -116.113 bonds (distance) P-C4' energy: -110.205 flat angles C4'-P-C4' energy: -92.539 flat angles P-C4'-P energy: -52.749 tors. eta vs tors. theta energy: 4.224 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: 9, replica: 3 ===================================== Write number: 224 Temperature: 1.300000 Total energy: -624.177962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -624.177962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -624.177962 (E_RNA) where: Base-Base interactions energy: -278.350 where: short stacking energy: -161.509 Base-Backbone interact. energy: 2.782 local terms energy: -348.610026 where: bonds (distance) C4'-P energy: -102.554 bonds (distance) P-C4' energy: -108.201 flat angles C4'-P-C4' energy: -97.390 flat angles P-C4'-P energy: -49.918 tors. eta vs tors. theta energy: 9.453 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 224 Temperature: 1.350000 Total energy: -501.362475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -501.362475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -501.362475 (E_RNA) where: Base-Base interactions energy: -168.001 where: short stacking energy: -119.282 Base-Backbone interact. energy: -0.928 local terms energy: -332.433019 where: bonds (distance) C4'-P energy: -101.382 bonds (distance) P-C4' energy: -130.427 flat angles C4'-P-C4' energy: -75.027 flat angles P-C4'-P energy: -45.447 tors. eta vs tors. theta energy: 19.850 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 225 Temperature: 0.900000 Total energy: -2273.914816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2273.914816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2273.914816 (E_RNA) where: Base-Base interactions energy: -1553.092 where: short stacking energy: -626.492 Base-Backbone interact. energy: -0.299 local terms energy: -720.524083 where: bonds (distance) C4'-P energy: -126.143 bonds (distance) P-C4' energy: -129.519 flat angles C4'-P-C4' energy: -152.630 flat angles P-C4'-P energy: -108.981 tors. eta vs tors. theta energy: -203.251 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 225 Temperature: 0.950000 Total energy: -2129.021364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2129.021364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2129.021364 (E_RNA) where: Base-Base interactions energy: -1456.235 where: short stacking energy: -618.074 Base-Backbone interact. energy: -2.361 local terms energy: -670.425345 where: bonds (distance) C4'-P energy: -126.164 bonds (distance) P-C4' energy: -114.323 flat angles C4'-P-C4' energy: -146.826 flat angles P-C4'-P energy: -90.460 tors. eta vs tors. theta energy: -192.652 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 225 Temperature: 1.000000 Total energy: -2084.149273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2084.149273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2084.149273 (E_RNA) where: Base-Base interactions energy: -1423.550 where: short stacking energy: -620.610 Base-Backbone interact. energy: -0.095 local terms energy: -660.504121 where: bonds (distance) C4'-P energy: -120.156 bonds (distance) P-C4' energy: -118.969 flat angles C4'-P-C4' energy: -138.447 flat angles P-C4'-P energy: -96.061 tors. eta vs tors. theta energy: -186.870 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 225 Temperature: 1.050000 Total energy: -1936.945059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1936.945059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1936.945059 (E_RNA) where: Base-Base interactions energy: -1316.748 where: short stacking energy: -552.937 Base-Backbone interact. energy: -0.226 local terms energy: -619.971385 where: bonds (distance) C4'-P energy: -109.323 bonds (distance) P-C4' energy: -129.284 flat angles C4'-P-C4' energy: -139.968 flat angles P-C4'-P energy: -68.380 tors. eta vs tors. theta energy: -173.016 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: 8 ===================================== Write number: 225 Temperature: 1.100000 Total energy: -1728.026610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1728.026610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1728.026610 (E_RNA) where: Base-Base interactions energy: -1150.572 where: short stacking energy: -495.123 Base-Backbone interact. energy: -1.782 local terms energy: -575.672561 where: bonds (distance) C4'-P energy: -107.817 bonds (distance) P-C4' energy: -109.876 flat angles C4'-P-C4' energy: -133.340 flat angles P-C4'-P energy: -95.310 tors. eta vs tors. theta energy: -129.329 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: 6, replica: 7 ===================================== Write number: 225 Temperature: 1.150000 Total energy: -1677.523430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1677.523430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1677.523430 (E_RNA) where: Base-Base interactions energy: -1111.813 where: short stacking energy: -475.714 Base-Backbone interact. energy: -0.883 local terms energy: -564.828081 where: bonds (distance) C4'-P energy: -88.337 bonds (distance) P-C4' energy: -121.096 flat angles C4'-P-C4' energy: -138.428 flat angles P-C4'-P energy: -83.271 tors. eta vs tors. theta energy: -133.696 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 225 Temperature: 1.200000 Total energy: -1006.951176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1006.951176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1006.951176 (E_RNA) where: Base-Base interactions energy: -540.370 where: short stacking energy: -289.169 Base-Backbone interact. energy: -2.445 local terms energy: -464.136722 where: bonds (distance) C4'-P energy: -122.728 bonds (distance) P-C4' energy: -119.452 flat angles C4'-P-C4' energy: -125.150 flat angles P-C4'-P energy: -51.480 tors. eta vs tors. theta energy: -45.326 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: 3 ===================================== Write number: 225 Temperature: 1.250000 Total energy: -745.166765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -745.166765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -745.166765 (E_RNA) where: Base-Base interactions energy: -348.347 where: short stacking energy: -229.189 Base-Backbone interact. energy: -0.028 local terms energy: -396.792210 where: bonds (distance) C4'-P energy: -115.086 bonds (distance) P-C4' energy: -102.955 flat angles C4'-P-C4' energy: -96.229 flat angles P-C4'-P energy: -67.587 tors. eta vs tors. theta energy: -14.936 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 225 Temperature: 1.300000 Total energy: -638.455532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -638.455532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -638.455532 (E_RNA) where: Base-Base interactions energy: -286.969 where: short stacking energy: -169.782 Base-Backbone interact. energy: 0.816 local terms energy: -353.148148 where: bonds (distance) C4'-P energy: -104.491 bonds (distance) P-C4' energy: -123.359 flat angles C4'-P-C4' energy: -96.238 flat angles P-C4'-P energy: -36.131 tors. eta vs tors. theta energy: 7.070 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.846 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 225 Temperature: 1.350000 Total energy: -485.685168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -485.685168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -485.685168 (E_RNA) where: Base-Base interactions energy: -154.170 where: short stacking energy: -108.269 Base-Backbone interact. energy: -4.778 local terms energy: -326.737293 where: bonds (distance) C4'-P energy: -106.250 bonds (distance) P-C4' energy: -124.984 flat angles C4'-P-C4' energy: -74.949 flat angles P-C4'-P energy: -63.633 tors. eta vs tors. theta energy: 43.079 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 226 Temperature: 0.900000 Total energy: -2266.827389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2266.827389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2266.827389 (E_RNA) where: Base-Base interactions energy: -1539.117 where: short stacking energy: -633.323 Base-Backbone interact. energy: -1.721 local terms energy: -725.990070 where: bonds (distance) C4'-P energy: -136.888 bonds (distance) P-C4' energy: -131.515 flat angles C4'-P-C4' energy: -155.910 flat angles P-C4'-P energy: -94.051 tors. eta vs tors. theta energy: -207.627 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: 6 ===================================== Write number: 226 Temperature: 0.950000 Total energy: -2136.836079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2136.836079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2136.836079 (E_RNA) where: Base-Base interactions energy: -1400.703 where: short stacking energy: -601.023 Base-Backbone interact. energy: -0.387 local terms energy: -735.745559 where: bonds (distance) C4'-P energy: -135.444 bonds (distance) P-C4' energy: -135.522 flat angles C4'-P-C4' energy: -162.883 flat angles P-C4'-P energy: -103.553 tors. eta vs tors. theta energy: -198.344 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 226 Temperature: 1.000000 Total energy: -2092.375844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2092.375844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2092.375844 (E_RNA) where: Base-Base interactions energy: -1424.927 where: short stacking energy: -636.530 Base-Backbone interact. energy: -1.214 local terms energy: -666.235104 where: bonds (distance) C4'-P energy: -116.606 bonds (distance) P-C4' energy: -126.522 flat angles C4'-P-C4' energy: -142.458 flat angles P-C4'-P energy: -97.237 tors. eta vs tors. theta energy: -183.411 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: 10 ===================================== Write number: 226 Temperature: 1.050000 Total energy: -1979.589752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1979.589752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1979.589752 (E_RNA) where: Base-Base interactions energy: -1314.749 where: short stacking energy: -575.015 Base-Backbone interact. energy: -1.070 local terms energy: -663.771084 where: bonds (distance) C4'-P energy: -123.608 bonds (distance) P-C4' energy: -126.352 flat angles C4'-P-C4' energy: -132.705 flat angles P-C4'-P energy: -97.665 tors. eta vs tors. theta energy: -183.441 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: 7 ===================================== Write number: 226 Temperature: 1.100000 Total energy: -1750.097603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1750.097603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1750.097603 (E_RNA) where: Base-Base interactions energy: -1145.441 where: short stacking energy: -480.917 Base-Backbone interact. energy: -2.153 local terms energy: -602.503635 where: bonds (distance) C4'-P energy: -113.681 bonds (distance) P-C4' energy: -126.950 flat angles C4'-P-C4' energy: -134.612 flat angles P-C4'-P energy: -86.112 tors. eta vs tors. theta energy: -141.149 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: 8 ===================================== Write number: 226 Temperature: 1.150000 Total energy: -1651.024861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1651.024861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1651.024861 (E_RNA) where: Base-Base interactions energy: -1090.909 where: short stacking energy: -460.974 Base-Backbone interact. energy: 1.987 local terms energy: -562.103039 where: bonds (distance) C4'-P energy: -109.450 bonds (distance) P-C4' energy: -113.169 flat angles C4'-P-C4' energy: -124.326 flat angles P-C4'-P energy: -72.475 tors. eta vs tors. theta energy: -142.683 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 226 Temperature: 1.200000 Total energy: -969.081640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -969.081640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -969.081640 (E_RNA) where: Base-Base interactions energy: -527.454 where: short stacking energy: -256.777 Base-Backbone interact. energy: 4.391 local terms energy: -446.018674 where: bonds (distance) C4'-P energy: -112.193 bonds (distance) P-C4' energy: -120.223 flat angles C4'-P-C4' energy: -127.362 flat angles P-C4'-P energy: -65.034 tors. eta vs tors. theta energy: -21.208 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: 3 ===================================== Write number: 226 Temperature: 1.250000 Total energy: -734.920958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -734.920958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -734.920958 (E_RNA) where: Base-Base interactions energy: -326.898 where: short stacking energy: -196.347 Base-Backbone interact. energy: -0.851 local terms energy: -407.172220 where: bonds (distance) C4'-P energy: -127.751 bonds (distance) P-C4' energy: -117.235 flat angles C4'-P-C4' energy: -105.327 flat angles P-C4'-P energy: -61.144 tors. eta vs tors. theta energy: 4.285 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 226 Temperature: 1.300000 Total energy: -598.954005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -598.954005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -598.954005 (E_RNA) where: Base-Base interactions energy: -250.988 where: short stacking energy: -160.779 Base-Backbone interact. energy: -2.964 local terms energy: -345.002159 where: bonds (distance) C4'-P energy: -98.090 bonds (distance) P-C4' energy: -119.318 flat angles C4'-P-C4' energy: -75.847 flat angles P-C4'-P energy: -53.647 tors. eta vs tors. theta energy: 1.900 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: 4 ===================================== Write number: 226 Temperature: 1.350000 Total energy: -514.218249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -514.218249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -514.218249 (E_RNA) where: Base-Base interactions energy: -191.607 where: short stacking energy: -127.501 Base-Backbone interact. energy: 6.847 local terms energy: -329.457460 where: bonds (distance) C4'-P energy: -99.369 bonds (distance) P-C4' energy: -113.339 flat angles C4'-P-C4' energy: -101.055 flat angles P-C4'-P energy: -32.598 tors. eta vs tors. theta energy: 16.903 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 227 Temperature: 0.900000 Total energy: -2283.766929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2283.766929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2283.766929 (E_RNA) where: Base-Base interactions energy: -1573.094 where: short stacking energy: -636.953 Base-Backbone interact. energy: 3.535 local terms energy: -714.208008 where: bonds (distance) C4'-P energy: -126.708 bonds (distance) P-C4' energy: -138.935 flat angles C4'-P-C4' energy: -134.833 flat angles P-C4'-P energy: -100.025 tors. eta vs tors. theta energy: -213.707 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 227 Temperature: 0.950000 Total energy: -2123.635471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2123.635471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2123.635471 (E_RNA) where: Base-Base interactions energy: -1437.379 where: short stacking energy: -620.964 Base-Backbone interact. energy: -2.813 local terms energy: -683.443090 where: bonds (distance) C4'-P energy: -128.582 bonds (distance) P-C4' energy: -120.785 flat angles C4'-P-C4' energy: -143.408 flat angles P-C4'-P energy: -96.782 tors. eta vs tors. theta energy: -193.886 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 227 Temperature: 1.000000 Total energy: -2112.631637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2112.631637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2112.631637 (E_RNA) where: Base-Base interactions energy: -1419.682 where: short stacking energy: -612.846 Base-Backbone interact. energy: -2.074 local terms energy: -690.875402 where: bonds (distance) C4'-P energy: -122.755 bonds (distance) P-C4' energy: -141.950 flat angles C4'-P-C4' energy: -153.275 flat angles P-C4'-P energy: -98.513 tors. eta vs tors. theta energy: -174.383 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: 10 ===================================== Write number: 227 Temperature: 1.050000 Total energy: -2017.459015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2017.459015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2017.459015 (E_RNA) where: Base-Base interactions energy: -1369.241 where: short stacking energy: -569.703 Base-Backbone interact. energy: -2.308 local terms energy: -645.909427 where: bonds (distance) C4'-P energy: -131.905 bonds (distance) P-C4' energy: -126.930 flat angles C4'-P-C4' energy: -131.298 flat angles P-C4'-P energy: -72.839 tors. eta vs tors. theta energy: -182.937 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 227 Temperature: 1.100000 Total energy: -1776.664118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1776.664118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1776.664118 (E_RNA) where: Base-Base interactions energy: -1156.370 where: short stacking energy: -517.574 Base-Backbone interact. energy: -2.187 local terms energy: -618.107415 where: bonds (distance) C4'-P energy: -119.274 bonds (distance) P-C4' energy: -124.863 flat angles C4'-P-C4' energy: -130.331 flat angles P-C4'-P energy: -77.473 tors. eta vs tors. theta energy: -166.167 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 227 Temperature: 1.150000 Total energy: -1607.721302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1607.721302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1607.721302 (E_RNA) where: Base-Base interactions energy: -1074.039 where: short stacking energy: -425.568 Base-Backbone interact. energy: 5.587 local terms energy: -539.269054 where: bonds (distance) C4'-P energy: -111.754 bonds (distance) P-C4' energy: -105.456 flat angles C4'-P-C4' energy: -131.843 flat angles P-C4'-P energy: -77.377 tors. eta vs tors. theta energy: -112.839 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: 1 ===================================== Write number: 227 Temperature: 1.200000 Total energy: -1025.733809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1025.733809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1025.733809 (E_RNA) where: Base-Base interactions energy: -573.502 where: short stacking energy: -284.755 Base-Backbone interact. energy: 1.205 local terms energy: -453.437353 where: bonds (distance) C4'-P energy: -109.047 bonds (distance) P-C4' energy: -126.414 flat angles C4'-P-C4' energy: -122.505 flat angles P-C4'-P energy: -60.516 tors. eta vs tors. theta energy: -34.955 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 227 Temperature: 1.250000 Total energy: -757.377317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -757.377317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -757.377317 (E_RNA) where: Base-Base interactions energy: -372.407 where: short stacking energy: -216.223 Base-Backbone interact. energy: 1.844 local terms energy: -386.814333 where: bonds (distance) C4'-P energy: -99.201 bonds (distance) P-C4' energy: -111.214 flat angles C4'-P-C4' energy: -101.482 flat angles P-C4'-P energy: -66.206 tors. eta vs tors. theta energy: -8.712 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 227 Temperature: 1.300000 Total energy: -650.657127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.657127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -650.657127 (E_RNA) where: Base-Base interactions energy: -270.510 where: short stacking energy: -161.429 Base-Backbone interact. energy: 0.108 local terms energy: -380.255857 where: bonds (distance) C4'-P energy: -96.397 bonds (distance) P-C4' energy: -128.420 flat angles C4'-P-C4' energy: -106.083 flat angles P-C4'-P energy: -56.676 tors. eta vs tors. theta energy: 7.320 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: 10, replica: 4 ===================================== Write number: 227 Temperature: 1.350000 Total energy: -488.754048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -488.754048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -488.754048 (E_RNA) where: Base-Base interactions energy: -177.206 where: short stacking energy: -118.567 Base-Backbone interact. energy: 6.609 local terms energy: -318.157378 where: bonds (distance) C4'-P energy: -101.137 bonds (distance) P-C4' energy: -118.458 flat angles C4'-P-C4' energy: -76.186 flat angles P-C4'-P energy: -69.610 tors. eta vs tors. theta energy: 47.234 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 228 Temperature: 0.900000 Total energy: -2289.419393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2289.419393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2289.419393 (E_RNA) where: Base-Base interactions energy: -1560.837 where: short stacking energy: -635.392 Base-Backbone interact. energy: -3.725 local terms energy: -724.857832 where: bonds (distance) C4'-P energy: -139.774 bonds (distance) P-C4' energy: -120.369 flat angles C4'-P-C4' energy: -162.165 flat angles P-C4'-P energy: -104.778 tors. eta vs tors. theta energy: -197.773 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 228 Temperature: 0.950000 Total energy: -2121.855919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2121.855919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2121.855919 (E_RNA) where: Base-Base interactions energy: -1415.647 where: short stacking energy: -621.919 Base-Backbone interact. energy: 0.037 local terms energy: -706.245841 where: bonds (distance) C4'-P energy: -130.281 bonds (distance) P-C4' energy: -132.426 flat angles C4'-P-C4' energy: -156.766 flat angles P-C4'-P energy: -94.683 tors. eta vs tors. theta energy: -192.090 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: 228 Temperature: 1.000000 Total energy: -2107.585042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2107.585042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2107.585042 (E_RNA) where: Base-Base interactions energy: -1419.930 where: short stacking energy: -613.098 Base-Backbone interact. energy: -2.531 local terms energy: -685.124640 where: bonds (distance) C4'-P energy: -126.652 bonds (distance) P-C4' energy: -132.422 flat angles C4'-P-C4' energy: -133.461 flat angles P-C4'-P energy: -108.308 tors. eta vs tors. theta energy: -184.282 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: 10 ===================================== Write number: 228 Temperature: 1.050000 Total energy: -1998.114211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1998.114211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1998.114211 (E_RNA) where: Base-Base interactions energy: -1361.941 where: short stacking energy: -574.245 Base-Backbone interact. energy: 0.447 local terms energy: -636.620467 where: bonds (distance) C4'-P energy: -108.219 bonds (distance) P-C4' energy: -135.178 flat angles C4'-P-C4' energy: -131.286 flat angles P-C4'-P energy: -84.550 tors. eta vs tors. theta energy: -177.387 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: 7 ===================================== Write number: 228 Temperature: 1.100000 Total energy: -1801.353094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1801.353094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1801.353094 (E_RNA) where: Base-Base interactions energy: -1176.422 where: short stacking energy: -508.767 Base-Backbone interact. energy: -0.396 local terms energy: -624.535093 where: bonds (distance) C4'-P energy: -122.077 bonds (distance) P-C4' energy: -117.962 flat angles C4'-P-C4' energy: -124.698 flat angles P-C4'-P energy: -98.819 tors. eta vs tors. theta energy: -160.979 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 228 Temperature: 1.150000 Total energy: -1602.796224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1602.796224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1602.796224 (E_RNA) where: Base-Base interactions energy: -1053.168 where: short stacking energy: -444.680 Base-Backbone interact. energy: -1.992 local terms energy: -547.636797 where: bonds (distance) C4'-P energy: -85.893 bonds (distance) P-C4' energy: -141.223 flat angles C4'-P-C4' energy: -119.358 flat angles P-C4'-P energy: -79.668 tors. eta vs tors. theta energy: -121.494 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 228 Temperature: 1.200000 Total energy: -1015.221797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1015.221797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1015.221797 (E_RNA) where: Base-Base interactions energy: -591.324 where: short stacking energy: -275.533 Base-Backbone interact. energy: 0.117 local terms energy: -424.015068 where: bonds (distance) C4'-P energy: -102.957 bonds (distance) P-C4' energy: -108.119 flat angles C4'-P-C4' energy: -96.025 flat angles P-C4'-P energy: -79.325 tors. eta vs tors. theta energy: -37.589 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: 3 ===================================== Write number: 228 Temperature: 1.250000 Total energy: -739.378222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -739.378222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -739.378222 (E_RNA) where: Base-Base interactions energy: -359.283 where: short stacking energy: -186.144 Base-Backbone interact. energy: 3.600 local terms energy: -383.694987 where: bonds (distance) C4'-P energy: -93.622 bonds (distance) P-C4' energy: -116.701 flat angles C4'-P-C4' energy: -108.473 flat angles P-C4'-P energy: -55.663 tors. eta vs tors. theta energy: -9.236 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 228 Temperature: 1.300000 Total energy: -624.744668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -624.744668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -624.744668 (E_RNA) where: Base-Base interactions energy: -255.860 where: short stacking energy: -148.013 Base-Backbone interact. energy: 0.482 local terms energy: -369.365945 where: bonds (distance) C4'-P energy: -121.795 bonds (distance) P-C4' energy: -105.930 flat angles C4'-P-C4' energy: -78.905 flat angles P-C4'-P energy: -75.197 tors. eta vs tors. theta energy: 12.462 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: 10, replica: 4 ===================================== Write number: 228 Temperature: 1.350000 Total energy: -481.929094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -481.929094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -481.929094 (E_RNA) where: Base-Base interactions energy: -163.195 where: short stacking energy: -116.072 Base-Backbone interact. energy: 1.514 local terms energy: -320.248590 where: bonds (distance) C4'-P energy: -84.991 bonds (distance) P-C4' energy: -117.977 flat angles C4'-P-C4' energy: -78.524 flat angles P-C4'-P energy: -70.071 tors. eta vs tors. theta energy: 31.314 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 229 Temperature: 0.900000 Total energy: -2270.277192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2270.277192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2270.277192 (E_RNA) where: Base-Base interactions energy: -1545.919 where: short stacking energy: -646.230 Base-Backbone interact. energy: -5.132 local terms energy: -719.226536 where: bonds (distance) C4'-P energy: -128.689 bonds (distance) P-C4' energy: -123.285 flat angles C4'-P-C4' energy: -147.268 flat angles P-C4'-P energy: -114.279 tors. eta vs tors. theta energy: -205.706 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 229 Temperature: 0.950000 Total energy: -2146.504123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2146.504123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2146.504123 (E_RNA) where: Base-Base interactions energy: -1458.032 where: short stacking energy: -600.524 Base-Backbone interact. energy: -0.997 local terms energy: -687.475263 where: bonds (distance) C4'-P energy: -125.721 bonds (distance) P-C4' energy: -130.726 flat angles C4'-P-C4' energy: -136.436 flat angles P-C4'-P energy: -95.685 tors. eta vs tors. theta energy: -198.908 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 229 Temperature: 1.000000 Total energy: -2096.937431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2096.937431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2096.937431 (E_RNA) where: Base-Base interactions energy: -1389.499 where: short stacking energy: -590.831 Base-Backbone interact. energy: -1.583 local terms energy: -705.855921 where: bonds (distance) C4'-P energy: -116.833 bonds (distance) P-C4' energy: -140.459 flat angles C4'-P-C4' energy: -155.483 flat angles P-C4'-P energy: -107.615 tors. eta vs tors. theta energy: -185.467 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: 10 ===================================== Write number: 229 Temperature: 1.050000 Total energy: -2009.433615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2009.433615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2009.433615 (E_RNA) where: Base-Base interactions energy: -1374.168 where: short stacking energy: -577.266 Base-Backbone interact. energy: 0.635 local terms energy: -635.901237 where: bonds (distance) C4'-P energy: -112.803 bonds (distance) P-C4' energy: -121.949 flat angles C4'-P-C4' energy: -124.360 flat angles P-C4'-P energy: -95.048 tors. eta vs tors. theta energy: -181.741 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 229 Temperature: 1.100000 Total energy: -1783.092515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1783.092515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1783.092515 (E_RNA) where: Base-Base interactions energy: -1176.935 where: short stacking energy: -502.192 Base-Backbone interact. energy: -2.118 local terms energy: -604.039818 where: bonds (distance) C4'-P energy: -122.664 bonds (distance) P-C4' energy: -108.927 flat angles C4'-P-C4' energy: -138.043 flat angles P-C4'-P energy: -80.205 tors. eta vs tors. theta energy: -154.201 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 229 Temperature: 1.150000 Total energy: -1696.114031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1696.114031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1696.114031 (E_RNA) where: Base-Base interactions energy: -1120.730 where: short stacking energy: -474.416 Base-Backbone interact. energy: 3.352 local terms energy: -578.736051 where: bonds (distance) C4'-P energy: -114.167 bonds (distance) P-C4' energy: -116.281 flat angles C4'-P-C4' energy: -140.219 flat angles P-C4'-P energy: -79.822 tors. eta vs tors. theta energy: -128.247 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: 1 ===================================== Write number: 229 Temperature: 1.200000 Total energy: -1086.179127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1086.179127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1086.179127 (E_RNA) where: Base-Base interactions energy: -638.074 where: short stacking energy: -322.994 Base-Backbone interact. energy: 4.570 local terms energy: -452.782991 where: bonds (distance) C4'-P energy: -114.410 bonds (distance) P-C4' energy: -110.594 flat angles C4'-P-C4' energy: -115.361 flat angles P-C4'-P energy: -62.594 tors. eta vs tors. theta energy: -49.824 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.108 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 229 Temperature: 1.250000 Total energy: -714.131420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -714.131420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -714.131420 (E_RNA) where: Base-Base interactions energy: -323.654 where: short stacking energy: -186.007 Base-Backbone interact. energy: -2.138 local terms energy: -388.339747 where: bonds (distance) C4'-P energy: -103.575 bonds (distance) P-C4' energy: -114.191 flat angles C4'-P-C4' energy: -102.078 flat angles P-C4'-P energy: -84.296 tors. eta vs tors. theta energy: 15.800 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 229 Temperature: 1.300000 Total energy: -583.016771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -583.016771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -583.016771 (E_RNA) where: Base-Base interactions energy: -211.523 where: short stacking energy: -132.955 Base-Backbone interact. energy: 6.219 local terms energy: -377.712833 where: bonds (distance) C4'-P energy: -114.311 bonds (distance) P-C4' energy: -98.241 flat angles C4'-P-C4' energy: -111.750 flat angles P-C4'-P energy: -69.913 tors. eta vs tors. theta energy: 16.503 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 229 Temperature: 1.350000 Total energy: -500.173174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -500.173174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -500.173174 (E_RNA) where: Base-Base interactions energy: -181.282 where: short stacking energy: -137.761 Base-Backbone interact. energy: 1.601 local terms energy: -320.491728 where: bonds (distance) C4'-P energy: -87.739 bonds (distance) P-C4' energy: -111.910 flat angles C4'-P-C4' energy: -85.167 flat angles P-C4'-P energy: -47.306 tors. eta vs tors. theta energy: 11.631 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: 1, replica: 2 ===================================== Write number: 230 Temperature: 0.900000 Total energy: -2270.550490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2270.550490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2270.550490 (E_RNA) where: Base-Base interactions energy: -1550.012 where: short stacking energy: -641.324 Base-Backbone interact. energy: 1.192 local terms energy: -721.730563 where: bonds (distance) C4'-P energy: -120.458 bonds (distance) P-C4' energy: -129.220 flat angles C4'-P-C4' energy: -155.509 flat angles P-C4'-P energy: -108.462 tors. eta vs tors. theta energy: -208.081 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 230 Temperature: 0.950000 Total energy: -2151.744185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2151.744185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2151.744185 (E_RNA) where: Base-Base interactions energy: -1459.092 where: short stacking energy: -586.841 Base-Backbone interact. energy: -3.199 local terms energy: -689.452855 where: bonds (distance) C4'-P energy: -135.924 bonds (distance) P-C4' energy: -136.954 flat angles C4'-P-C4' energy: -145.005 flat angles P-C4'-P energy: -100.464 tors. eta vs tors. theta energy: -171.105 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 230 Temperature: 1.000000 Total energy: -2034.706737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2034.706737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2034.706737 (E_RNA) where: Base-Base interactions energy: -1357.644 where: short stacking energy: -574.833 Base-Backbone interact. energy: -3.312 local terms energy: -673.751055 where: bonds (distance) C4'-P energy: -123.190 bonds (distance) P-C4' energy: -119.965 flat angles C4'-P-C4' energy: -150.234 flat angles P-C4'-P energy: -93.973 tors. eta vs tors. theta energy: -186.390 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: 4, replica: 10 ===================================== Write number: 230 Temperature: 1.050000 Total energy: -1946.898916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1946.898916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1946.898916 (E_RNA) where: Base-Base interactions energy: -1304.011 where: short stacking energy: -517.940 Base-Backbone interact. energy: -2.922 local terms energy: -639.965733 where: bonds (distance) C4'-P energy: -130.468 bonds (distance) P-C4' energy: -119.354 flat angles C4'-P-C4' energy: -142.546 flat angles P-C4'-P energy: -87.973 tors. eta vs tors. theta energy: -159.625 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: 7 ===================================== Write number: 230 Temperature: 1.100000 Total energy: -1797.484681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1797.484681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1797.484681 (E_RNA) where: Base-Base interactions energy: -1179.231 where: short stacking energy: -522.407 Base-Backbone interact. energy: -4.547 local terms energy: -613.706705 where: bonds (distance) C4'-P energy: -115.269 bonds (distance) P-C4' energy: -123.266 flat angles C4'-P-C4' energy: -130.859 flat angles P-C4'-P energy: -85.975 tors. eta vs tors. theta energy: -158.337 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: 8 ===================================== Write number: 230 Temperature: 1.150000 Total energy: -1708.963316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1708.963316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1708.963316 (E_RNA) where: Base-Base interactions energy: -1120.487 where: short stacking energy: -501.445 Base-Backbone interact. energy: 1.740 local terms energy: -590.216155 where: bonds (distance) C4'-P energy: -120.319 bonds (distance) P-C4' energy: -126.452 flat angles C4'-P-C4' energy: -129.045 flat angles P-C4'-P energy: -74.539 tors. eta vs tors. theta energy: -139.861 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 230 Temperature: 1.200000 Total energy: -1061.975218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1061.975218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1061.975218 (E_RNA) where: Base-Base interactions energy: -623.536 where: short stacking energy: -279.036 Base-Backbone interact. energy: -0.864 local terms energy: -437.575442 where: bonds (distance) C4'-P energy: -110.126 bonds (distance) P-C4' energy: -139.148 flat angles C4'-P-C4' energy: -99.300 flat angles P-C4'-P energy: -65.430 tors. eta vs tors. theta energy: -23.573 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 230 Temperature: 1.250000 Total energy: -776.645334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -776.645334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -776.645334 (E_RNA) where: Base-Base interactions energy: -378.541 where: short stacking energy: -233.350 Base-Backbone interact. energy: -0.566 local terms energy: -397.869396 where: bonds (distance) C4'-P energy: -85.408 bonds (distance) P-C4' energy: -120.833 flat angles C4'-P-C4' energy: -97.902 flat angles P-C4'-P energy: -63.172 tors. eta vs tors. theta energy: -30.554 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.331 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 230 Temperature: 1.300000 Total energy: -544.407340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -544.407340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -544.407340 (E_RNA) where: Base-Base interactions energy: -189.782 where: short stacking energy: -136.785 Base-Backbone interact. energy: 4.783 local terms energy: -359.408257 where: bonds (distance) C4'-P energy: -99.342 bonds (distance) P-C4' energy: -115.644 flat angles C4'-P-C4' energy: -124.425 flat angles P-C4'-P energy: -48.491 tors. eta vs tors. theta energy: 28.494 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: 9 ===================================== Write number: 230 Temperature: 1.350000 Total energy: -542.024507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -542.024507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -542.024507 (E_RNA) where: Base-Base interactions energy: -210.110 where: short stacking energy: -151.075 Base-Backbone interact. energy: 0.629 local terms energy: -332.543662 where: bonds (distance) C4'-P energy: -106.408 bonds (distance) P-C4' energy: -88.188 flat angles C4'-P-C4' energy: -98.448 flat angles P-C4'-P energy: -47.671 tors. eta vs tors. theta energy: 8.171 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: 2 ===================================== Write number: 231 Temperature: 0.900000 Total energy: -2289.531961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2289.531961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2289.531961 (E_RNA) where: Base-Base interactions energy: -1553.497 where: short stacking energy: -646.165 Base-Backbone interact. energy: -0.998 local terms energy: -735.037097 where: bonds (distance) C4'-P energy: -129.165 bonds (distance) P-C4' energy: -133.748 flat angles C4'-P-C4' energy: -155.609 flat angles P-C4'-P energy: -108.418 tors. eta vs tors. theta energy: -208.098 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 231 Temperature: 0.950000 Total energy: -2125.039258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2125.039258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2125.039258 (E_RNA) where: Base-Base interactions energy: -1438.263 where: short stacking energy: -586.999 Base-Backbone interact. energy: -2.781 local terms energy: -683.994720 where: bonds (distance) C4'-P energy: -126.780 bonds (distance) P-C4' energy: -138.896 flat angles C4'-P-C4' energy: -151.321 flat angles P-C4'-P energy: -99.394 tors. eta vs tors. theta energy: -167.604 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 231 Temperature: 1.000000 Total energy: -2063.450022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2063.450022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2063.450022 (E_RNA) where: Base-Base interactions energy: -1372.290 where: short stacking energy: -592.823 Base-Backbone interact. energy: -0.646 local terms energy: -690.514212 where: bonds (distance) C4'-P energy: -120.783 bonds (distance) P-C4' energy: -133.249 flat angles C4'-P-C4' energy: -145.414 flat angles P-C4'-P energy: -98.013 tors. eta vs tors. theta energy: -193.055 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 231 Temperature: 1.050000 Total energy: -1933.628603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1933.628603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1933.628603 (E_RNA) where: Base-Base interactions energy: -1326.120 where: short stacking energy: -535.587 Base-Backbone interact. energy: -0.178 local terms energy: -607.331010 where: bonds (distance) C4'-P energy: -119.898 bonds (distance) P-C4' energy: -114.541 flat angles C4'-P-C4' energy: -119.914 flat angles P-C4'-P energy: -81.294 tors. eta vs tors. theta energy: -171.684 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: 7 ===================================== Write number: 231 Temperature: 1.100000 Total energy: -1766.461924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1766.461924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1766.461924 (E_RNA) where: Base-Base interactions energy: -1178.000 where: short stacking energy: -506.277 Base-Backbone interact. energy: -6.036 local terms energy: -582.426292 where: bonds (distance) C4'-P energy: -86.606 bonds (distance) P-C4' energy: -129.278 flat angles C4'-P-C4' energy: -131.420 flat angles P-C4'-P energy: -79.115 tors. eta vs tors. theta energy: -156.006 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 231 Temperature: 1.150000 Total energy: -1670.601703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1670.601703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1670.601703 (E_RNA) where: Base-Base interactions energy: -1134.704 where: short stacking energy: -451.773 Base-Backbone interact. energy: 1.827 local terms energy: -537.725259 where: bonds (distance) C4'-P energy: -102.732 bonds (distance) P-C4' energy: -109.217 flat angles C4'-P-C4' energy: -119.990 flat angles P-C4'-P energy: -71.105 tors. eta vs tors. theta energy: -134.681 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: 1 ===================================== Write number: 231 Temperature: 1.200000 Total energy: -1051.357739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1051.357739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1051.357739 (E_RNA) where: Base-Base interactions energy: -607.955 where: short stacking energy: -292.178 Base-Backbone interact. energy: 7.458 local terms energy: -450.861009 where: bonds (distance) C4'-P energy: -116.311 bonds (distance) P-C4' energy: -114.013 flat angles C4'-P-C4' energy: -122.438 flat angles P-C4'-P energy: -62.176 tors. eta vs tors. theta energy: -35.924 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: 8, replica: 3 ===================================== Write number: 231 Temperature: 1.250000 Total energy: -747.363763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -747.363763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -747.363763 (E_RNA) where: Base-Base interactions energy: -324.571 where: short stacking energy: -222.957 Base-Backbone interact. energy: -1.432 local terms energy: -421.361008 where: bonds (distance) C4'-P energy: -107.910 bonds (distance) P-C4' energy: -116.249 flat angles C4'-P-C4' energy: -114.696 flat angles P-C4'-P energy: -72.748 tors. eta vs tors. theta energy: -9.759 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: 4 ===================================== Write number: 231 Temperature: 1.300000 Total energy: -524.645499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -524.645499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -524.645499 (E_RNA) where: Base-Base interactions energy: -161.843 where: short stacking energy: -131.278 Base-Backbone interact. energy: -1.283 local terms energy: -361.519164 where: bonds (distance) C4'-P energy: -104.158 bonds (distance) P-C4' energy: -110.948 flat angles C4'-P-C4' energy: -96.689 flat angles P-C4'-P energy: -61.296 tors. eta vs tors. theta energy: 11.572 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 231 Temperature: 1.350000 Total energy: -582.203023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -582.203023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -582.203023 (E_RNA) where: Base-Base interactions energy: -240.222 where: short stacking energy: -135.253 Base-Backbone interact. energy: 9.349 local terms energy: -351.329415 where: bonds (distance) C4'-P energy: -111.857 bonds (distance) P-C4' energy: -110.939 flat angles C4'-P-C4' energy: -98.257 flat angles P-C4'-P energy: -49.478 tors. eta vs tors. theta energy: 19.201 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 232 Temperature: 0.900000 Total energy: -2293.610087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2293.610087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2293.610087 (E_RNA) where: Base-Base interactions energy: -1554.908 where: short stacking energy: -633.228 Base-Backbone interact. energy: -1.903 local terms energy: -736.798635 where: bonds (distance) C4'-P energy: -134.356 bonds (distance) P-C4' energy: -143.704 flat angles C4'-P-C4' energy: -165.119 flat angles P-C4'-P energy: -89.306 tors. eta vs tors. theta energy: -204.313 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 232 Temperature: 0.950000 Total energy: -2123.476547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2123.476547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2123.476547 (E_RNA) where: Base-Base interactions energy: -1446.198 where: short stacking energy: -578.634 Base-Backbone interact. energy: -2.133 local terms energy: -675.145852 where: bonds (distance) C4'-P energy: -128.397 bonds (distance) P-C4' energy: -130.484 flat angles C4'-P-C4' energy: -147.904 flat angles P-C4'-P energy: -102.646 tors. eta vs tors. theta energy: -165.715 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: 3, replica: 10 ===================================== Write number: 232 Temperature: 1.000000 Total energy: -2068.102472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2068.102472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2068.102472 (E_RNA) where: Base-Base interactions energy: -1430.506 where: short stacking energy: -574.927 Base-Backbone interact. energy: -1.023 local terms energy: -636.573721 where: bonds (distance) C4'-P energy: -118.525 bonds (distance) P-C4' energy: -132.388 flat angles C4'-P-C4' energy: -148.188 flat angles P-C4'-P energy: -77.263 tors. eta vs tors. theta energy: -160.210 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 232 Temperature: 1.050000 Total energy: -1978.864912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1978.864912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1978.864912 (E_RNA) where: Base-Base interactions energy: -1349.291 where: short stacking energy: -583.842 Base-Backbone interact. energy: -2.862 local terms energy: -626.711506 where: bonds (distance) C4'-P energy: -119.838 bonds (distance) P-C4' energy: -112.930 flat angles C4'-P-C4' energy: -141.726 flat angles P-C4'-P energy: -66.501 tors. eta vs tors. theta energy: -185.716 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: 7 ===================================== Write number: 232 Temperature: 1.100000 Total energy: -1787.126620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1787.126620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1787.126620 (E_RNA) where: Base-Base interactions energy: -1184.427 where: short stacking energy: -504.421 Base-Backbone interact. energy: -2.607 local terms energy: -600.092138 where: bonds (distance) C4'-P energy: -105.901 bonds (distance) P-C4' energy: -123.619 flat angles C4'-P-C4' energy: -126.089 flat angles P-C4'-P energy: -85.314 tors. eta vs tors. theta energy: -159.168 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: 8 ===================================== Write number: 232 Temperature: 1.150000 Total energy: -1717.151704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1717.151704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1717.151704 (E_RNA) where: Base-Base interactions energy: -1135.631 where: short stacking energy: -483.886 Base-Backbone interact. energy: -1.534 local terms energy: -579.986695 where: bonds (distance) C4'-P energy: -129.621 bonds (distance) P-C4' energy: -108.310 flat angles C4'-P-C4' energy: -125.594 flat angles P-C4'-P energy: -78.928 tors. eta vs tors. theta energy: -137.534 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 232 Temperature: 1.200000 Total energy: -1074.167557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1074.167557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1074.167557 (E_RNA) where: Base-Base interactions energy: -620.793 where: short stacking energy: -306.140 Base-Backbone interact. energy: 2.101 local terms energy: -455.475169 where: bonds (distance) C4'-P energy: -118.875 bonds (distance) P-C4' energy: -113.928 flat angles C4'-P-C4' energy: -113.429 flat angles P-C4'-P energy: -57.582 tors. eta vs tors. theta energy: -51.661 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: 3 ===================================== Write number: 232 Temperature: 1.250000 Total energy: -741.953505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -741.953505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -741.953505 (E_RNA) where: Base-Base interactions energy: -352.414 where: short stacking energy: -218.228 Base-Backbone interact. energy: -1.041 local terms energy: -388.499087 where: bonds (distance) C4'-P energy: -107.568 bonds (distance) P-C4' energy: -106.844 flat angles C4'-P-C4' energy: -116.705 flat angles P-C4'-P energy: -58.906 tors. eta vs tors. theta energy: 1.524 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 232 Temperature: 1.300000 Total energy: -600.675518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -600.675518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -600.675518 (E_RNA) where: Base-Base interactions energy: -241.158 where: short stacking energy: -138.337 Base-Backbone interact. energy: -3.841 local terms energy: -355.676529 where: bonds (distance) C4'-P energy: -125.406 bonds (distance) P-C4' energy: -112.386 flat angles C4'-P-C4' energy: -89.679 flat angles P-C4'-P energy: -58.752 tors. eta vs tors. theta energy: 30.548 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: 4 ===================================== Write number: 232 Temperature: 1.350000 Total energy: -486.160532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -486.160532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -486.160532 (E_RNA) where: Base-Base interactions energy: -141.377 where: short stacking energy: -133.628 Base-Backbone interact. energy: 5.422 local terms energy: -350.205614 where: bonds (distance) C4'-P energy: -104.695 bonds (distance) P-C4' energy: -121.769 flat angles C4'-P-C4' energy: -102.644 flat angles P-C4'-P energy: -47.008 tors. eta vs tors. theta energy: 25.910 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: 2 ===================================== Write number: 233 Temperature: 0.900000 Total energy: -2317.226725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2317.226725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2317.226725 (E_RNA) where: Base-Base interactions energy: -1595.185 where: short stacking energy: -664.606 Base-Backbone interact. energy: -4.374 local terms energy: -717.667398 where: bonds (distance) C4'-P energy: -120.713 bonds (distance) P-C4' energy: -138.017 flat angles C4'-P-C4' energy: -154.926 flat angles P-C4'-P energy: -97.519 tors. eta vs tors. theta energy: -206.492 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 233 Temperature: 0.950000 Total energy: -2123.807249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2123.807249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2123.807249 (E_RNA) where: Base-Base interactions energy: -1449.745 where: short stacking energy: -595.893 Base-Backbone interact. energy: -3.260 local terms energy: -670.802012 where: bonds (distance) C4'-P energy: -129.620 bonds (distance) P-C4' energy: -131.834 flat angles C4'-P-C4' energy: -147.848 flat angles P-C4'-P energy: -97.966 tors. eta vs tors. theta energy: -163.533 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 233 Temperature: 1.000000 Total energy: -2016.063132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2016.063132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2016.063132 (E_RNA) where: Base-Base interactions energy: -1374.291 where: short stacking energy: -558.470 Base-Backbone interact. energy: -1.349 local terms energy: -640.422527 where: bonds (distance) C4'-P energy: -105.401 bonds (distance) P-C4' energy: -131.284 flat angles C4'-P-C4' energy: -144.306 flat angles P-C4'-P energy: -82.957 tors. eta vs tors. theta energy: -176.474 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 233 Temperature: 1.050000 Total energy: -1961.236429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1961.236429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1961.236429 (E_RNA) where: Base-Base interactions energy: -1298.620 where: short stacking energy: -550.510 Base-Backbone interact. energy: -3.437 local terms energy: -659.178771 where: bonds (distance) C4'-P energy: -111.237 bonds (distance) P-C4' energy: -134.561 flat angles C4'-P-C4' energy: -144.053 flat angles P-C4'-P energy: -89.614 tors. eta vs tors. theta energy: -179.713 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 233 Temperature: 1.100000 Total energy: -1785.875310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1785.875310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1785.875310 (E_RNA) where: Base-Base interactions energy: -1207.634 where: short stacking energy: -510.366 Base-Backbone interact. energy: -1.844 local terms energy: -576.397307 where: bonds (distance) C4'-P energy: -96.722 bonds (distance) P-C4' energy: -124.838 flat angles C4'-P-C4' energy: -120.841 flat angles P-C4'-P energy: -81.374 tors. eta vs tors. theta energy: -152.622 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 233 Temperature: 1.150000 Total energy: -1692.016712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1692.016712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1692.016712 (E_RNA) where: Base-Base interactions energy: -1124.756 where: short stacking energy: -465.547 Base-Backbone interact. energy: -1.489 local terms energy: -565.772061 where: bonds (distance) C4'-P energy: -105.703 bonds (distance) P-C4' energy: -120.962 flat angles C4'-P-C4' energy: -119.270 flat angles P-C4'-P energy: -87.408 tors. eta vs tors. theta energy: -132.429 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: 1 ===================================== Write number: 233 Temperature: 1.200000 Total energy: -1084.466965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1084.466965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1084.466965 (E_RNA) where: Base-Base interactions energy: -605.478 where: short stacking energy: -289.255 Base-Backbone interact. energy: 0.503 local terms energy: -479.491793 where: bonds (distance) C4'-P energy: -126.314 bonds (distance) P-C4' energy: -125.841 flat angles C4'-P-C4' energy: -124.998 flat angles P-C4'-P energy: -65.503 tors. eta vs tors. theta energy: -36.835 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: 3 ===================================== Write number: 233 Temperature: 1.250000 Total energy: -758.531408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -758.531408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -758.531408 (E_RNA) where: Base-Base interactions energy: -390.273 where: short stacking energy: -193.112 Base-Backbone interact. energy: -2.166 local terms energy: -366.092627 where: bonds (distance) C4'-P energy: -86.611 bonds (distance) P-C4' energy: -127.914 flat angles C4'-P-C4' energy: -99.628 flat angles P-C4'-P energy: -51.976 tors. eta vs tors. theta energy: 0.036 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 233 Temperature: 1.300000 Total energy: -611.201197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -611.201197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -611.201197 (E_RNA) where: Base-Base interactions energy: -230.037 where: short stacking energy: -143.313 Base-Backbone interact. energy: 3.630 local terms energy: -384.793891 where: bonds (distance) C4'-P energy: -107.894 bonds (distance) P-C4' energy: -106.124 flat angles C4'-P-C4' energy: -115.171 flat angles P-C4'-P energy: -72.530 tors. eta vs tors. theta energy: 16.925 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: 233 Temperature: 1.350000 Total energy: -482.294139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -482.294139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -482.294139 (E_RNA) where: Base-Base interactions energy: -185.323 where: short stacking energy: -119.192 Base-Backbone interact. energy: -3.423 local terms energy: -293.548027 where: bonds (distance) C4'-P energy: -111.034 bonds (distance) P-C4' energy: -96.636 flat angles C4'-P-C4' energy: -78.001 flat angles P-C4'-P energy: -31.690 tors. eta vs tors. theta energy: 23.813 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 234 Temperature: 0.900000 Total energy: -2289.656528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2289.656528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2289.656528 (E_RNA) where: Base-Base interactions energy: -1555.855 where: short stacking energy: -645.302 Base-Backbone interact. energy: 0.406 local terms energy: -734.207057 where: bonds (distance) C4'-P energy: -133.034 bonds (distance) P-C4' energy: -137.476 flat angles C4'-P-C4' energy: -161.828 flat angles P-C4'-P energy: -98.234 tors. eta vs tors. theta energy: -203.635 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 234 Temperature: 0.950000 Total energy: -2107.804948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2107.804948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2107.804948 (E_RNA) where: Base-Base interactions energy: -1444.577 where: short stacking energy: -585.760 Base-Backbone interact. energy: -0.200 local terms energy: -663.027849 where: bonds (distance) C4'-P energy: -128.989 bonds (distance) P-C4' energy: -136.840 flat angles C4'-P-C4' energy: -140.767 flat angles P-C4'-P energy: -85.370 tors. eta vs tors. theta energy: -171.061 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: 234 Temperature: 1.000000 Total energy: -2023.723619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2023.723619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2023.723619 (E_RNA) where: Base-Base interactions energy: -1370.670 where: short stacking energy: -566.524 Base-Backbone interact. energy: 1.196 local terms energy: -654.249632 where: bonds (distance) C4'-P energy: -121.978 bonds (distance) P-C4' energy: -119.517 flat angles C4'-P-C4' energy: -145.402 flat angles P-C4'-P energy: -82.838 tors. eta vs tors. theta energy: -184.514 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 234 Temperature: 1.050000 Total energy: -1943.241234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1943.241234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1943.241234 (E_RNA) where: Base-Base interactions energy: -1296.544 where: short stacking energy: -532.821 Base-Backbone interact. energy: -2.772 local terms energy: -643.925571 where: bonds (distance) C4'-P energy: -114.602 bonds (distance) P-C4' energy: -131.646 flat angles C4'-P-C4' energy: -144.052 flat angles P-C4'-P energy: -89.243 tors. eta vs tors. theta energy: -164.382 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: 7 ===================================== Write number: 234 Temperature: 1.100000 Total energy: -1804.361448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1804.361448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1804.361448 (E_RNA) where: Base-Base interactions energy: -1213.700 where: short stacking energy: -536.301 Base-Backbone interact. energy: -2.244 local terms energy: -588.417006 where: bonds (distance) C4'-P energy: -112.645 bonds (distance) P-C4' energy: -106.902 flat angles C4'-P-C4' energy: -140.725 flat angles P-C4'-P energy: -71.064 tors. eta vs tors. theta energy: -157.082 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 234 Temperature: 1.150000 Total energy: -1699.718974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1699.718974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1699.718974 (E_RNA) where: Base-Base interactions energy: -1116.261 where: short stacking energy: -476.771 Base-Backbone interact. energy: -3.896 local terms energy: -579.562071 where: bonds (distance) C4'-P energy: -106.107 bonds (distance) P-C4' energy: -118.814 flat angles C4'-P-C4' energy: -124.284 flat angles P-C4'-P energy: -81.671 tors. eta vs tors. theta energy: -148.685 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 234 Temperature: 1.200000 Total energy: -1046.616343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1046.616343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1046.616343 (E_RNA) where: Base-Base interactions energy: -624.109 where: short stacking energy: -315.864 Base-Backbone interact. energy: -0.978 local terms energy: -421.529421 where: bonds (distance) C4'-P energy: -90.547 bonds (distance) P-C4' energy: -115.718 flat angles C4'-P-C4' energy: -106.183 flat angles P-C4'-P energy: -60.947 tors. eta vs tors. theta energy: -48.135 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 234 Temperature: 1.250000 Total energy: -799.249081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -799.249081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -799.249081 (E_RNA) where: Base-Base interactions energy: -405.290 where: short stacking energy: -217.848 Base-Backbone interact. energy: 0.041 local terms energy: -393.999517 where: bonds (distance) C4'-P energy: -114.421 bonds (distance) P-C4' energy: -119.549 flat angles C4'-P-C4' energy: -99.124 flat angles P-C4'-P energy: -60.996 tors. eta vs tors. theta energy: 0.091 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 234 Temperature: 1.300000 Total energy: -604.271514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -604.271514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -604.271514 (E_RNA) where: Base-Base interactions energy: -248.466 where: short stacking energy: -157.901 Base-Backbone interact. energy: 4.159 local terms energy: -359.964338 where: bonds (distance) C4'-P energy: -115.950 bonds (distance) P-C4' energy: -100.463 flat angles C4'-P-C4' energy: -95.654 flat angles P-C4'-P energy: -61.866 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: 10, replica: 4 ===================================== Write number: 234 Temperature: 1.350000 Total energy: -495.545559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -495.545559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -495.545559 (E_RNA) where: Base-Base interactions energy: -183.012 where: short stacking energy: -121.069 Base-Backbone interact. energy: 0.922 local terms energy: -313.455749 where: bonds (distance) C4'-P energy: -88.252 bonds (distance) P-C4' energy: -110.619 flat angles C4'-P-C4' energy: -83.951 flat angles P-C4'-P energy: -63.393 tors. eta vs tors. theta energy: 32.760 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: 2 ===================================== Write number: 235 Temperature: 0.900000 Total energy: -2293.069503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2293.069503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2293.069503 (E_RNA) where: Base-Base interactions energy: -1580.870 where: short stacking energy: -647.646 Base-Backbone interact. energy: -1.202 local terms energy: -710.997705 where: bonds (distance) C4'-P energy: -138.666 bonds (distance) P-C4' energy: -129.862 flat angles C4'-P-C4' energy: -147.358 flat angles P-C4'-P energy: -101.600 tors. eta vs tors. theta energy: -193.512 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 235 Temperature: 0.950000 Total energy: -2150.405022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2150.405022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2150.405022 (E_RNA) where: Base-Base interactions energy: -1460.092 where: short stacking energy: -596.345 Base-Backbone interact. energy: 1.268 local terms energy: -691.581057 where: bonds (distance) C4'-P energy: -132.074 bonds (distance) P-C4' energy: -128.866 flat angles C4'-P-C4' energy: -143.355 flat angles P-C4'-P energy: -101.144 tors. eta vs tors. theta energy: -186.142 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: 10 ===================================== Write number: 235 Temperature: 1.000000 Total energy: -1999.801891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1999.801891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1999.801891 (E_RNA) where: Base-Base interactions energy: -1348.831 where: short stacking energy: -571.864 Base-Backbone interact. energy: -1.792 local terms energy: -649.179111 where: bonds (distance) C4'-P energy: -120.386 bonds (distance) P-C4' energy: -123.852 flat angles C4'-P-C4' energy: -150.185 flat angles P-C4'-P energy: -82.290 tors. eta vs tors. theta energy: -172.466 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: 6 ===================================== Write number: 235 Temperature: 1.050000 Total energy: -1932.282925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1932.282925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1932.282925 (E_RNA) where: Base-Base interactions energy: -1296.293 where: short stacking energy: -562.523 Base-Backbone interact. energy: 0.750 local terms energy: -636.739317 where: bonds (distance) C4'-P energy: -125.087 bonds (distance) P-C4' energy: -129.206 flat angles C4'-P-C4' energy: -130.593 flat angles P-C4'-P energy: -71.638 tors. eta vs tors. theta energy: -180.216 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: 5, replica: 7 ===================================== Write number: 235 Temperature: 1.100000 Total energy: -1841.948236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1841.948236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1841.948236 (E_RNA) where: Base-Base interactions energy: -1237.633 where: short stacking energy: -558.408 Base-Backbone interact. energy: 0.685 local terms energy: -605.000648 where: bonds (distance) C4'-P energy: -115.403 bonds (distance) P-C4' energy: -95.377 flat angles C4'-P-C4' energy: -148.941 flat angles P-C4'-P energy: -80.820 tors. eta vs tors. theta energy: -164.460 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 235 Temperature: 1.150000 Total energy: -1722.388660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1722.388660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1722.388660 (E_RNA) where: Base-Base interactions energy: -1128.135 where: short stacking energy: -492.291 Base-Backbone interact. energy: 2.964 local terms energy: -597.217924 where: bonds (distance) C4'-P energy: -119.678 bonds (distance) P-C4' energy: -135.467 flat angles C4'-P-C4' energy: -123.310 flat angles P-C4'-P energy: -78.101 tors. eta vs tors. theta energy: -140.662 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 235 Temperature: 1.200000 Total energy: -1041.894958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1041.894958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1041.894958 (E_RNA) where: Base-Base interactions energy: -607.907 where: short stacking energy: -291.439 Base-Backbone interact. energy: -1.662 local terms energy: -432.325744 where: bonds (distance) C4'-P energy: -106.375 bonds (distance) P-C4' energy: -129.612 flat angles C4'-P-C4' energy: -99.896 flat angles P-C4'-P energy: -67.616 tors. eta vs tors. theta energy: -28.825 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: 3 ===================================== Write number: 235 Temperature: 1.250000 Total energy: -801.421856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -801.421856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -801.421856 (E_RNA) where: Base-Base interactions energy: -406.472 where: short stacking energy: -210.754 Base-Backbone interact. energy: 1.480 local terms energy: -396.430386 where: bonds (distance) C4'-P energy: -102.853 bonds (distance) P-C4' energy: -125.831 flat angles C4'-P-C4' energy: -106.160 flat angles P-C4'-P energy: -61.470 tors. eta vs tors. theta energy: -0.115 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 235 Temperature: 1.300000 Total energy: -586.370398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -586.370398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -586.370398 (E_RNA) where: Base-Base interactions energy: -215.503 where: short stacking energy: -126.813 Base-Backbone interact. energy: -4.291 local terms energy: -366.576230 where: bonds (distance) C4'-P energy: -103.228 bonds (distance) P-C4' energy: -110.345 flat angles C4'-P-C4' energy: -114.371 flat angles P-C4'-P energy: -54.391 tors. eta vs tors. theta energy: 15.759 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 235 Temperature: 1.350000 Total energy: -503.597098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -503.597098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -503.597098 (E_RNA) where: Base-Base interactions energy: -169.548 where: short stacking energy: -134.629 Base-Backbone interact. energy: -0.462 local terms energy: -333.587162 where: bonds (distance) C4'-P energy: -102.814 bonds (distance) P-C4' energy: -101.141 flat angles C4'-P-C4' energy: -109.370 flat angles P-C4'-P energy: -29.384 tors. eta vs tors. theta energy: 9.122 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 236 Temperature: 0.900000 Total energy: -2280.365651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2280.365651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2280.365651 (E_RNA) where: Base-Base interactions energy: -1573.440 where: short stacking energy: -636.876 Base-Backbone interact. energy: -0.345 local terms energy: -706.581351 where: bonds (distance) C4'-P energy: -127.832 bonds (distance) P-C4' energy: -133.740 flat angles C4'-P-C4' energy: -147.184 flat angles P-C4'-P energy: -98.185 tors. eta vs tors. theta energy: -199.640 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 236 Temperature: 0.950000 Total energy: -2143.177135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2143.177135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2143.177135 (E_RNA) where: Base-Base interactions energy: -1476.177 where: short stacking energy: -619.183 Base-Backbone interact. energy: -4.228 local terms energy: -662.772291 where: bonds (distance) C4'-P energy: -115.217 bonds (distance) P-C4' energy: -133.256 flat angles C4'-P-C4' energy: -142.638 flat angles P-C4'-P energy: -84.379 tors. eta vs tors. theta energy: -187.282 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: 10 ===================================== Write number: 236 Temperature: 1.000000 Total energy: -1992.216376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1992.216376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1992.216376 (E_RNA) where: Base-Base interactions energy: -1326.396 where: short stacking energy: -553.373 Base-Backbone interact. energy: -2.804 local terms energy: -663.016119 where: bonds (distance) C4'-P energy: -132.983 bonds (distance) P-C4' energy: -136.732 flat angles C4'-P-C4' energy: -139.912 flat angles P-C4'-P energy: -83.494 tors. eta vs tors. theta energy: -169.896 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 236 Temperature: 1.050000 Total energy: -1953.627997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1953.627997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1953.627997 (E_RNA) where: Base-Base interactions energy: -1292.315 where: short stacking energy: -541.710 Base-Backbone interact. energy: -0.829 local terms energy: -660.484150 where: bonds (distance) C4'-P energy: -133.303 bonds (distance) P-C4' energy: -123.964 flat angles C4'-P-C4' energy: -134.962 flat angles P-C4'-P energy: -89.955 tors. eta vs tors. theta energy: -178.300 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 236 Temperature: 1.100000 Total energy: -1861.230336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1861.230336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1861.230336 (E_RNA) where: Base-Base interactions energy: -1250.569 where: short stacking energy: -533.671 Base-Backbone interact. energy: -3.010 local terms energy: -607.650644 where: bonds (distance) C4'-P energy: -120.898 bonds (distance) P-C4' energy: -107.491 flat angles C4'-P-C4' energy: -127.650 flat angles P-C4'-P energy: -85.738 tors. eta vs tors. theta energy: -165.874 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: 8 ===================================== Write number: 236 Temperature: 1.150000 Total energy: -1658.480698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1658.480698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1658.480698 (E_RNA) where: Base-Base interactions energy: -1108.624 where: short stacking energy: -470.033 Base-Backbone interact. energy: 9.436 local terms energy: -560.619944 where: bonds (distance) C4'-P energy: -107.702 bonds (distance) P-C4' energy: -125.635 flat angles C4'-P-C4' energy: -118.523 flat angles P-C4'-P energy: -77.373 tors. eta vs tors. theta energy: -131.387 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 1.327 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 236 Temperature: 1.200000 Total energy: -1039.656192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1039.656192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1039.656192 (E_RNA) where: Base-Base interactions energy: -578.101 where: short stacking energy: -280.993 Base-Backbone interact. energy: -2.322 local terms energy: -459.233850 where: bonds (distance) C4'-P energy: -121.441 bonds (distance) P-C4' energy: -117.878 flat angles C4'-P-C4' energy: -105.537 flat angles P-C4'-P energy: -77.460 tors. eta vs tors. theta energy: -36.918 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: 3 ===================================== Write number: 236 Temperature: 1.250000 Total energy: -784.916865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -784.916865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -784.916865 (E_RNA) where: Base-Base interactions energy: -395.015 where: short stacking energy: -233.271 Base-Backbone interact. energy: -3.165 local terms energy: -386.736340 where: bonds (distance) C4'-P energy: -89.310 bonds (distance) P-C4' energy: -111.351 flat angles C4'-P-C4' energy: -108.134 flat angles P-C4'-P energy: -56.507 tors. eta vs tors. theta energy: -21.434 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 236 Temperature: 1.300000 Total energy: -615.706539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -615.706539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -615.706539 (E_RNA) where: Base-Base interactions energy: -277.018 where: short stacking energy: -183.921 Base-Backbone interact. energy: 2.981 local terms energy: -341.668940 where: bonds (distance) C4'-P energy: -120.653 bonds (distance) P-C4' energy: -106.814 flat angles C4'-P-C4' energy: -83.907 flat angles P-C4'-P energy: -38.329 tors. eta vs tors. theta energy: 8.034 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 236 Temperature: 1.350000 Total energy: -474.165670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -474.165670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -474.165670 (E_RNA) where: Base-Base interactions energy: -126.450 where: short stacking energy: -114.470 Base-Backbone interact. energy: -1.567 local terms energy: -346.148637 where: bonds (distance) C4'-P energy: -132.138 bonds (distance) P-C4' energy: -108.052 flat angles C4'-P-C4' energy: -103.758 flat angles P-C4'-P energy: -49.437 tors. eta vs tors. theta energy: 47.236 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 237 Temperature: 0.900000 Total energy: -2281.651976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2281.651976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2281.651976 (E_RNA) where: Base-Base interactions energy: -1544.042 where: short stacking energy: -623.386 Base-Backbone interact. energy: -3.566 local terms energy: -734.044177 where: bonds (distance) C4'-P energy: -145.411 bonds (distance) P-C4' energy: -145.019 flat angles C4'-P-C4' energy: -151.724 flat angles P-C4'-P energy: -97.755 tors. eta vs tors. theta energy: -194.135 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 237 Temperature: 0.950000 Total energy: -2134.230506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2134.230506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2134.230506 (E_RNA) where: Base-Base interactions energy: -1435.234 where: short stacking energy: -614.348 Base-Backbone interact. energy: -2.249 local terms energy: -696.748004 where: bonds (distance) C4'-P energy: -124.363 bonds (distance) P-C4' energy: -144.588 flat angles C4'-P-C4' energy: -147.030 flat angles P-C4'-P energy: -102.262 tors. eta vs tors. theta energy: -178.504 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 237 Temperature: 1.000000 Total energy: -2019.004248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2019.004248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2019.004248 (E_RNA) where: Base-Base interactions energy: -1377.242 where: short stacking energy: -569.822 Base-Backbone interact. energy: -4.099 local terms energy: -637.663613 where: bonds (distance) C4'-P energy: -123.531 bonds (distance) P-C4' energy: -120.433 flat angles C4'-P-C4' energy: -145.789 flat angles P-C4'-P energy: -78.157 tors. eta vs tors. theta energy: -169.754 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 237 Temperature: 1.050000 Total energy: -1931.451179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1931.451179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1931.451179 (E_RNA) where: Base-Base interactions energy: -1325.659 where: short stacking energy: -536.879 Base-Backbone interact. energy: -0.992 local terms energy: -604.800249 where: bonds (distance) C4'-P energy: -124.191 bonds (distance) P-C4' energy: -125.947 flat angles C4'-P-C4' energy: -126.916 flat angles P-C4'-P energy: -71.848 tors. eta vs tors. theta energy: -155.898 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 237 Temperature: 1.100000 Total energy: -1875.259195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1875.259195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1875.259195 (E_RNA) where: Base-Base interactions energy: -1226.105 where: short stacking energy: -546.070 Base-Backbone interact. energy: -2.063 local terms energy: -648.055936 where: bonds (distance) C4'-P energy: -121.990 bonds (distance) P-C4' energy: -132.208 flat angles C4'-P-C4' energy: -137.540 flat angles P-C4'-P energy: -88.616 tors. eta vs tors. theta energy: -167.703 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.965 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 237 Temperature: 1.150000 Total energy: -1590.458114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1590.458114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1590.458114 (E_RNA) where: Base-Base interactions energy: -1038.219 where: short stacking energy: -460.533 Base-Backbone interact. energy: -0.033 local terms energy: -552.205819 where: bonds (distance) C4'-P energy: -107.946 bonds (distance) P-C4' energy: -121.246 flat angles C4'-P-C4' energy: -126.367 flat angles P-C4'-P energy: -67.296 tors. eta vs tors. theta energy: -129.350 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 237 Temperature: 1.200000 Total energy: -1030.531976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1030.531976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1030.531976 (E_RNA) where: Base-Base interactions energy: -606.156 where: short stacking energy: -302.199 Base-Backbone interact. energy: 0.150 local terms energy: -425.780704 where: bonds (distance) C4'-P energy: -103.958 bonds (distance) P-C4' energy: -111.673 flat angles C4'-P-C4' energy: -98.477 flat angles P-C4'-P energy: -73.639 tors. eta vs tors. theta energy: -38.034 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 1.255 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 237 Temperature: 1.250000 Total energy: -793.863927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -793.863927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -793.863927 (E_RNA) where: Base-Base interactions energy: -415.572 where: short stacking energy: -206.071 Base-Backbone interact. energy: 3.574 local terms energy: -381.866398 where: bonds (distance) C4'-P energy: -99.063 bonds (distance) P-C4' energy: -123.247 flat angles C4'-P-C4' energy: -102.849 flat angles P-C4'-P energy: -59.154 tors. eta vs tors. theta energy: 2.446 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 237 Temperature: 1.300000 Total energy: -598.292799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -598.292799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -598.292799 (E_RNA) where: Base-Base interactions energy: -261.363 where: short stacking energy: -145.374 Base-Backbone interact. energy: -1.552 local terms energy: -335.377864 where: bonds (distance) C4'-P energy: -101.841 bonds (distance) P-C4' energy: -103.304 flat angles C4'-P-C4' energy: -78.434 flat angles P-C4'-P energy: -61.518 tors. eta vs tors. theta energy: 9.719 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 237 Temperature: 1.350000 Total energy: -490.158990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -490.158990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -490.158990 (E_RNA) where: Base-Base interactions energy: -143.655 where: short stacking energy: -119.532 Base-Backbone interact. energy: 4.636 local terms energy: -351.140741 where: bonds (distance) C4'-P energy: -108.462 bonds (distance) P-C4' energy: -108.138 flat angles C4'-P-C4' energy: -97.926 flat angles P-C4'-P energy: -50.960 tors. eta vs tors. theta energy: 14.344 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 238 Temperature: 0.900000 Total energy: -2279.840663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2279.840663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2279.840663 (E_RNA) where: Base-Base interactions energy: -1570.914 where: short stacking energy: -657.859 Base-Backbone interact. energy: -3.455 local terms energy: -705.471511 where: bonds (distance) C4'-P energy: -122.504 bonds (distance) P-C4' energy: -115.931 flat angles C4'-P-C4' energy: -149.799 flat angles P-C4'-P energy: -109.088 tors. eta vs tors. theta energy: -208.149 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: 2, replica: 5 ===================================== Write number: 238 Temperature: 0.950000 Total energy: -2130.045648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2130.045648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2130.045648 (E_RNA) where: Base-Base interactions energy: -1457.894 where: short stacking energy: -566.993 Base-Backbone interact. energy: -3.487 local terms energy: -668.664566 where: bonds (distance) C4'-P energy: -126.531 bonds (distance) P-C4' energy: -123.684 flat angles C4'-P-C4' energy: -149.491 flat angles P-C4'-P energy: -83.086 tors. eta vs tors. theta energy: -185.872 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: 10 ===================================== Write number: 238 Temperature: 1.000000 Total energy: -2069.991579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2069.991579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2069.991579 (E_RNA) where: Base-Base interactions energy: -1403.193 where: short stacking energy: -592.557 Base-Backbone interact. energy: -1.645 local terms energy: -665.153961 where: bonds (distance) C4'-P energy: -129.315 bonds (distance) P-C4' energy: -132.715 flat angles C4'-P-C4' energy: -140.944 flat angles P-C4'-P energy: -83.525 tors. eta vs tors. theta energy: -178.655 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 238 Temperature: 1.050000 Total energy: -1907.858435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1907.858435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1907.858435 (E_RNA) where: Base-Base interactions energy: -1294.068 where: short stacking energy: -552.660 Base-Backbone interact. energy: -2.998 local terms energy: -610.793166 where: bonds (distance) C4'-P energy: -119.753 bonds (distance) P-C4' energy: -116.714 flat angles C4'-P-C4' energy: -137.667 flat angles P-C4'-P energy: -70.446 tors. eta vs tors. theta energy: -166.213 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: 7 ===================================== Write number: 238 Temperature: 1.100000 Total energy: -1868.904837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1868.904837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1868.904837 (E_RNA) where: Base-Base interactions energy: -1242.554 where: short stacking energy: -534.604 Base-Backbone interact. energy: 7.421 local terms energy: -633.771288 where: bonds (distance) C4'-P energy: -113.782 bonds (distance) P-C4' energy: -122.320 flat angles C4'-P-C4' energy: -139.288 flat angles P-C4'-P energy: -88.119 tors. eta vs tors. theta energy: -170.263 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 238 Temperature: 1.150000 Total energy: -1630.024305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1630.024305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1630.024305 (E_RNA) where: Base-Base interactions energy: -1100.605 where: short stacking energy: -444.763 Base-Backbone interact. energy: 0.187 local terms energy: -529.606116 where: bonds (distance) C4'-P energy: -108.509 bonds (distance) P-C4' energy: -118.750 flat angles C4'-P-C4' energy: -114.352 flat angles P-C4'-P energy: -81.443 tors. eta vs tors. theta energy: -106.552 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: 1 ===================================== Write number: 238 Temperature: 1.200000 Total energy: -1042.917816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1042.917816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1042.917816 (E_RNA) where: Base-Base interactions energy: -596.176 where: short stacking energy: -298.033 Base-Backbone interact. energy: -2.283 local terms energy: -444.458905 where: bonds (distance) C4'-P energy: -116.743 bonds (distance) P-C4' energy: -109.231 flat angles C4'-P-C4' energy: -105.708 flat angles P-C4'-P energy: -77.074 tors. eta vs tors. theta energy: -35.702 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 238 Temperature: 1.250000 Total energy: -800.887755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -800.887755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -800.887755 (E_RNA) where: Base-Base interactions energy: -393.886 where: short stacking energy: -232.449 Base-Backbone interact. energy: 1.583 local terms energy: -408.584680 where: bonds (distance) C4'-P energy: -120.327 bonds (distance) P-C4' energy: -96.273 flat angles C4'-P-C4' energy: -109.243 flat angles P-C4'-P energy: -60.932 tors. eta vs tors. theta energy: -21.810 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 238 Temperature: 1.300000 Total energy: -589.661280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -589.661280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -589.661280 (E_RNA) where: Base-Base interactions energy: -222.319 where: short stacking energy: -145.967 Base-Backbone interact. energy: -2.524 local terms energy: -364.818329 where: bonds (distance) C4'-P energy: -123.358 bonds (distance) P-C4' energy: -106.938 flat angles C4'-P-C4' energy: -102.236 flat angles P-C4'-P energy: -45.955 tors. eta vs tors. theta energy: 13.670 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: 4 ===================================== Write number: 238 Temperature: 1.350000 Total energy: -496.321283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -496.321283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -496.321283 (E_RNA) where: Base-Base interactions energy: -207.668 where: short stacking energy: -141.031 Base-Backbone interact. energy: 3.768 local terms energy: -296.448311 where: bonds (distance) C4'-P energy: -96.310 bonds (distance) P-C4' energy: -111.157 flat angles C4'-P-C4' energy: -63.663 flat angles P-C4'-P energy: -48.782 tors. eta vs tors. theta energy: 23.464 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 4.027 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 239 Temperature: 0.900000 Total energy: -2254.346761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2254.346761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2254.346761 (E_RNA) where: Base-Base interactions energy: -1540.691 where: short stacking energy: -616.259 Base-Backbone interact. energy: -1.682 local terms energy: -711.973105 where: bonds (distance) C4'-P energy: -121.344 bonds (distance) P-C4' energy: -139.677 flat angles C4'-P-C4' energy: -143.570 flat angles P-C4'-P energy: -104.433 tors. eta vs tors. theta energy: -202.949 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 239 Temperature: 0.950000 Total energy: -2131.457309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2131.457309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2131.457309 (E_RNA) where: Base-Base interactions energy: -1437.770 where: short stacking energy: -612.331 Base-Backbone interact. energy: 1.226 local terms energy: -694.913146 where: bonds (distance) C4'-P energy: -117.299 bonds (distance) P-C4' energy: -132.711 flat angles C4'-P-C4' energy: -153.424 flat angles P-C4'-P energy: -94.767 tors. eta vs tors. theta energy: -196.712 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 239 Temperature: 1.000000 Total energy: -2036.565809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2036.565809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2036.565809 (E_RNA) where: Base-Base interactions energy: -1387.644 where: short stacking energy: -578.001 Base-Backbone interact. energy: -1.719 local terms energy: -647.202461 where: bonds (distance) C4'-P energy: -107.844 bonds (distance) P-C4' energy: -144.795 flat angles C4'-P-C4' energy: -135.820 flat angles P-C4'-P energy: -77.106 tors. eta vs tors. theta energy: -181.639 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: 4, replica: 7 ===================================== Write number: 239 Temperature: 1.050000 Total energy: -1904.269058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1904.269058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1904.269058 (E_RNA) where: Base-Base interactions energy: -1302.113 where: short stacking energy: -550.148 Base-Backbone interact. energy: -2.419 local terms energy: -599.736824 where: bonds (distance) C4'-P energy: -117.906 bonds (distance) P-C4' energy: -105.968 flat angles C4'-P-C4' energy: -126.055 flat angles P-C4'-P energy: -75.290 tors. eta vs tors. theta energy: -174.518 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: 5, replica: 6 ===================================== Write number: 239 Temperature: 1.100000 Total energy: -1830.356502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1830.356502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1830.356502 (E_RNA) where: Base-Base interactions energy: -1227.838 where: short stacking energy: -510.494 Base-Backbone interact. energy: -2.671 local terms energy: -599.847319 where: bonds (distance) C4'-P energy: -121.685 bonds (distance) P-C4' energy: -121.070 flat angles C4'-P-C4' energy: -126.656 flat angles P-C4'-P energy: -75.822 tors. eta vs tors. theta energy: -154.614 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 239 Temperature: 1.150000 Total energy: -1653.199483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1653.199483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1653.199483 (E_RNA) where: Base-Base interactions energy: -1118.178 where: short stacking energy: -456.736 Base-Backbone interact. energy: 6.122 local terms energy: -541.143510 where: bonds (distance) C4'-P energy: -104.960 bonds (distance) P-C4' energy: -111.215 flat angles C4'-P-C4' energy: -129.364 flat angles P-C4'-P energy: -76.439 tors. eta vs tors. theta energy: -119.165 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: 1 ===================================== Write number: 239 Temperature: 1.200000 Total energy: -1016.973548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1016.973548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1016.973548 (E_RNA) where: Base-Base interactions energy: -568.527 where: short stacking energy: -278.845 Base-Backbone interact. energy: 2.142 local terms energy: -450.587673 where: bonds (distance) C4'-P energy: -119.493 bonds (distance) P-C4' energy: -109.217 flat angles C4'-P-C4' energy: -121.540 flat angles P-C4'-P energy: -69.617 tors. eta vs tors. theta energy: -30.720 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: 3 ===================================== Write number: 239 Temperature: 1.250000 Total energy: -783.630833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -783.630833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -783.630833 (E_RNA) where: Base-Base interactions energy: -399.904 where: short stacking energy: -204.286 Base-Backbone interact. energy: 4.995 local terms energy: -388.721577 where: bonds (distance) C4'-P energy: -113.268 bonds (distance) P-C4' energy: -127.672 flat angles C4'-P-C4' energy: -104.695 flat angles P-C4'-P energy: -42.516 tors. eta vs tors. theta energy: -0.571 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 239 Temperature: 1.300000 Total energy: -594.403037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -594.403037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -594.403037 (E_RNA) where: Base-Base interactions energy: -253.140 where: short stacking energy: -160.807 Base-Backbone interact. energy: -1.415 local terms energy: -339.847701 where: bonds (distance) C4'-P energy: -107.773 bonds (distance) P-C4' energy: -111.113 flat angles C4'-P-C4' energy: -76.191 flat angles P-C4'-P energy: -58.193 tors. eta vs tors. theta energy: 13.422 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: 4 ===================================== Write number: 239 Temperature: 1.350000 Total energy: -496.975710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -496.975710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -496.975710 (E_RNA) where: Base-Base interactions energy: -190.338 where: short stacking energy: -139.084 Base-Backbone interact. energy: 7.141 local terms energy: -313.778425 where: bonds (distance) C4'-P energy: -96.722 bonds (distance) P-C4' energy: -108.085 flat angles C4'-P-C4' energy: -77.700 flat angles P-C4'-P energy: -48.108 tors. eta vs tors. theta energy: 16.837 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 240 Temperature: 0.900000 Total energy: -2289.701113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2289.701113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2289.701113 (E_RNA) where: Base-Base interactions energy: -1546.823 where: short stacking energy: -646.919 Base-Backbone interact. energy: -0.022 local terms energy: -742.855949 where: bonds (distance) C4'-P energy: -130.585 bonds (distance) P-C4' energy: -138.820 flat angles C4'-P-C4' energy: -159.861 flat angles P-C4'-P energy: -110.501 tors. eta vs tors. theta energy: -203.089 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: 5 ===================================== Write number: 240 Temperature: 0.950000 Total energy: -2160.260559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2160.260559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2160.260559 (E_RNA) where: Base-Base interactions energy: -1469.392 where: short stacking energy: -662.449 Base-Backbone interact. energy: -1.061 local terms energy: -689.807709 where: bonds (distance) C4'-P energy: -128.951 bonds (distance) P-C4' energy: -122.678 flat angles C4'-P-C4' energy: -158.421 flat angles P-C4'-P energy: -85.033 tors. eta vs tors. theta energy: -194.724 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: 10 ===================================== Write number: 240 Temperature: 1.000000 Total energy: -2038.703589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2038.703589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2038.703589 (E_RNA) where: Base-Base interactions energy: -1391.659 where: short stacking energy: -594.505 Base-Backbone interact. energy: 0.035 local terms energy: -647.080183 where: bonds (distance) C4'-P energy: -124.525 bonds (distance) P-C4' energy: -112.844 flat angles C4'-P-C4' energy: -136.725 flat angles P-C4'-P energy: -90.861 tors. eta vs tors. theta energy: -182.126 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 240 Temperature: 1.050000 Total energy: -1891.963438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1891.963438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1891.963438 (E_RNA) where: Base-Base interactions energy: -1271.776 where: short stacking energy: -522.757 Base-Backbone interact. energy: 3.605 local terms energy: -623.792018 where: bonds (distance) C4'-P energy: -128.392 bonds (distance) P-C4' energy: -118.411 flat angles C4'-P-C4' energy: -130.819 flat angles P-C4'-P energy: -71.251 tors. eta vs tors. theta energy: -174.920 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 240 Temperature: 1.100000 Total energy: -1894.301944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1894.301944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1894.301944 (E_RNA) where: Base-Base interactions energy: -1286.865 where: short stacking energy: -525.462 Base-Backbone interact. energy: -1.086 local terms energy: -606.351675 where: bonds (distance) C4'-P energy: -114.173 bonds (distance) P-C4' energy: -125.448 flat angles C4'-P-C4' energy: -133.999 flat angles P-C4'-P energy: -73.051 tors. eta vs tors. theta energy: -159.681 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 240 Temperature: 1.150000 Total energy: -1656.125533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1656.125533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1656.125533 (E_RNA) where: Base-Base interactions energy: -1126.796 where: short stacking energy: -437.853 Base-Backbone interact. energy: -2.682 local terms energy: -526.647997 where: bonds (distance) C4'-P energy: -102.768 bonds (distance) P-C4' energy: -127.129 flat angles C4'-P-C4' energy: -113.372 flat angles P-C4'-P energy: -66.163 tors. eta vs tors. theta energy: -117.215 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 240 Temperature: 1.200000 Total energy: -1159.595223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1159.595223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1159.595223 (E_RNA) where: Base-Base interactions energy: -684.157 where: short stacking energy: -309.464 Base-Backbone interact. energy: -1.519 local terms energy: -473.918897 where: bonds (distance) C4'-P energy: -117.122 bonds (distance) P-C4' energy: -108.939 flat angles C4'-P-C4' energy: -115.647 flat angles P-C4'-P energy: -70.081 tors. eta vs tors. theta energy: -62.130 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 240 Temperature: 1.250000 Total energy: -822.365276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -822.365276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -822.365276 (E_RNA) where: Base-Base interactions energy: -428.431 where: short stacking energy: -223.358 Base-Backbone interact. energy: 2.826 local terms energy: -396.760961 where: bonds (distance) C4'-P energy: -110.640 bonds (distance) P-C4' energy: -110.730 flat angles C4'-P-C4' energy: -87.017 flat angles P-C4'-P energy: -71.975 tors. eta vs tors. theta energy: -16.400 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: 9 ===================================== Write number: 240 Temperature: 1.300000 Total energy: -591.081196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -591.081196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -591.081196 (E_RNA) where: Base-Base interactions energy: -258.719 where: short stacking energy: -172.459 Base-Backbone interact. energy: -1.509 local terms energy: -330.854062 where: bonds (distance) C4'-P energy: -97.500 bonds (distance) P-C4' energy: -128.333 flat angles C4'-P-C4' energy: -89.053 flat angles P-C4'-P energy: -25.327 tors. eta vs tors. theta energy: 9.359 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: 4 ===================================== Write number: 240 Temperature: 1.350000 Total energy: -521.573250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -521.573250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -521.573250 (E_RNA) where: Base-Base interactions energy: -179.508 where: short stacking energy: -109.598 Base-Backbone interact. energy: 3.330 local terms energy: -345.395486 where: bonds (distance) C4'-P energy: -116.843 bonds (distance) P-C4' energy: -106.408 flat angles C4'-P-C4' energy: -93.790 flat angles P-C4'-P energy: -59.487 tors. eta vs tors. theta energy: 31.133 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 241 Temperature: 0.900000 Total energy: -2284.558554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2284.558554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2284.558554 (E_RNA) where: Base-Base interactions energy: -1550.763 where: short stacking energy: -657.853 Base-Backbone interact. energy: -1.492 local terms energy: -732.303965 where: bonds (distance) C4'-P energy: -130.534 bonds (distance) P-C4' energy: -140.104 flat angles C4'-P-C4' energy: -148.156 flat angles P-C4'-P energy: -100.268 tors. eta vs tors. theta energy: -213.242 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: 5 ===================================== Write number: 241 Temperature: 0.950000 Total energy: -2156.038598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2156.038598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2156.038598 (E_RNA) where: Base-Base interactions energy: -1444.291 where: short stacking energy: -607.415 Base-Backbone interact. energy: 0.190 local terms energy: -711.937293 where: bonds (distance) C4'-P energy: -124.442 bonds (distance) P-C4' energy: -131.812 flat angles C4'-P-C4' energy: -157.710 flat angles P-C4'-P energy: -106.553 tors. eta vs tors. theta energy: -191.421 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: 10 ===================================== Write number: 241 Temperature: 1.000000 Total energy: -2036.857154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2036.857154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2036.857154 (E_RNA) where: Base-Base interactions energy: -1347.505 where: short stacking energy: -585.863 Base-Backbone interact. energy: -1.949 local terms energy: -687.403218 where: bonds (distance) C4'-P energy: -139.987 bonds (distance) P-C4' energy: -134.167 flat angles C4'-P-C4' energy: -137.239 flat angles P-C4'-P energy: -96.753 tors. eta vs tors. theta energy: -179.257 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: 7 ===================================== Write number: 241 Temperature: 1.050000 Total energy: -1920.012029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1920.012029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1920.012029 (E_RNA) where: Base-Base interactions energy: -1296.070 where: short stacking energy: -534.919 Base-Backbone interact. energy: 0.369 local terms energy: -624.311107 where: bonds (distance) C4'-P energy: -112.190 bonds (distance) P-C4' energy: -112.298 flat angles C4'-P-C4' energy: -129.315 flat angles P-C4'-P energy: -89.494 tors. eta vs tors. theta energy: -181.015 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: 6 ===================================== Write number: 241 Temperature: 1.100000 Total energy: -1883.353127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1883.353127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1883.353127 (E_RNA) where: Base-Base interactions energy: -1288.184 where: short stacking energy: -529.467 Base-Backbone interact. energy: -5.324 local terms energy: -589.844813 where: bonds (distance) C4'-P energy: -107.652 bonds (distance) P-C4' energy: -112.966 flat angles C4'-P-C4' energy: -131.980 flat angles P-C4'-P energy: -78.337 tors. eta vs tors. theta energy: -158.911 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 241 Temperature: 1.150000 Total energy: -1648.800886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1648.800886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1648.800886 (E_RNA) where: Base-Base interactions energy: -1100.790 where: short stacking energy: -459.485 Base-Backbone interact. energy: -1.326 local terms energy: -546.685538 where: bonds (distance) C4'-P energy: -110.357 bonds (distance) P-C4' energy: -105.859 flat angles C4'-P-C4' energy: -128.095 flat angles P-C4'-P energy: -76.340 tors. eta vs tors. theta energy: -126.035 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 241 Temperature: 1.200000 Total energy: -1187.214561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1187.214561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1187.214561 (E_RNA) where: Base-Base interactions energy: -713.386 where: short stacking energy: -321.046 Base-Backbone interact. energy: 0.554 local terms energy: -476.227045 where: bonds (distance) C4'-P energy: -126.090 bonds (distance) P-C4' energy: -106.416 flat angles C4'-P-C4' energy: -128.478 flat angles P-C4'-P energy: -52.477 tors. eta vs tors. theta energy: -62.767 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 1.844 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 241 Temperature: 1.250000 Total energy: -780.357007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -780.357007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -780.357007 (E_RNA) where: Base-Base interactions energy: -410.099 where: short stacking energy: -251.061 Base-Backbone interact. energy: -2.654 local terms energy: -367.604086 where: bonds (distance) C4'-P energy: -85.553 bonds (distance) P-C4' energy: -101.911 flat angles C4'-P-C4' energy: -117.667 flat angles P-C4'-P energy: -53.582 tors. eta vs tors. theta energy: -8.890 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: 9, replica: 9 ===================================== Write number: 241 Temperature: 1.300000 Total energy: -604.497535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -604.497535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -604.497535 (E_RNA) where: Base-Base interactions energy: -217.231 where: short stacking energy: -148.990 Base-Backbone interact. energy: -4.241 local terms energy: -383.025001 where: bonds (distance) C4'-P energy: -119.244 bonds (distance) P-C4' energy: -113.311 flat angles C4'-P-C4' energy: -86.218 flat angles P-C4'-P energy: -63.215 tors. eta vs tors. theta energy: -1.038 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 241 Temperature: 1.350000 Total energy: -527.983598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -527.983598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -527.983598 (E_RNA) where: Base-Base interactions energy: -185.391 where: short stacking energy: -157.383 Base-Backbone interact. energy: 1.650 local terms energy: -344.242755 where: bonds (distance) C4'-P energy: -108.886 bonds (distance) P-C4' energy: -122.241 flat angles C4'-P-C4' energy: -89.166 flat angles P-C4'-P energy: -43.293 tors. eta vs tors. theta energy: 19.343 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: 1, replica: 2 ===================================== Write number: 242 Temperature: 0.900000 Total energy: -2291.580107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2291.580107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2291.580107 (E_RNA) where: Base-Base interactions energy: -1566.445 where: short stacking energy: -651.262 Base-Backbone interact. energy: 1.423 local terms energy: -726.557940 where: bonds (distance) C4'-P energy: -120.152 bonds (distance) P-C4' energy: -136.642 flat angles C4'-P-C4' energy: -153.275 flat angles P-C4'-P energy: -102.252 tors. eta vs tors. theta energy: -214.237 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: 5 ===================================== Write number: 242 Temperature: 0.950000 Total energy: -2158.853032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2158.853032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2158.853032 (E_RNA) where: Base-Base interactions energy: -1456.331 where: short stacking energy: -594.959 Base-Backbone interact. energy: -2.079 local terms energy: -700.443063 where: bonds (distance) C4'-P energy: -134.223 bonds (distance) P-C4' energy: -134.923 flat angles C4'-P-C4' energy: -149.144 flat angles P-C4'-P energy: -95.197 tors. eta vs tors. theta energy: -186.957 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 242 Temperature: 1.000000 Total energy: -2047.791992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2047.791992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2047.791992 (E_RNA) where: Base-Base interactions energy: -1366.987 where: short stacking energy: -588.233 Base-Backbone interact. energy: -6.869 local terms energy: -673.935936 where: bonds (distance) C4'-P energy: -129.625 bonds (distance) P-C4' energy: -124.843 flat angles C4'-P-C4' energy: -138.233 flat angles P-C4'-P energy: -83.338 tors. eta vs tors. theta energy: -197.898 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: 10 ===================================== Write number: 242 Temperature: 1.050000 Total energy: -1948.634065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1948.634065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1948.634065 (E_RNA) where: Base-Base interactions energy: -1329.599 where: short stacking energy: -573.870 Base-Backbone interact. energy: -2.275 local terms energy: -616.760269 where: bonds (distance) C4'-P energy: -127.783 bonds (distance) P-C4' energy: -113.593 flat angles C4'-P-C4' energy: -123.684 flat angles P-C4'-P energy: -79.611 tors. eta vs tors. theta energy: -172.088 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 242 Temperature: 1.100000 Total energy: -1854.789972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1854.789972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1854.789972 (E_RNA) where: Base-Base interactions energy: -1244.265 where: short stacking energy: -502.678 Base-Backbone interact. energy: -4.366 local terms energy: -606.158179 where: bonds (distance) C4'-P energy: -128.629 bonds (distance) P-C4' energy: -117.862 flat angles C4'-P-C4' energy: -130.654 flat angles P-C4'-P energy: -81.570 tors. eta vs tors. theta energy: -147.443 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 242 Temperature: 1.150000 Total energy: -1638.951489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1638.951489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1638.951489 (E_RNA) where: Base-Base interactions energy: -1074.060 where: short stacking energy: -443.127 Base-Backbone interact. energy: -0.159 local terms energy: -564.732042 where: bonds (distance) C4'-P energy: -117.542 bonds (distance) P-C4' energy: -128.485 flat angles C4'-P-C4' energy: -129.476 flat angles P-C4'-P energy: -74.914 tors. eta vs tors. theta energy: -114.315 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 242 Temperature: 1.200000 Total energy: -1132.804340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1132.804340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1132.804340 (E_RNA) where: Base-Base interactions energy: -708.934 where: short stacking energy: -308.911 Base-Backbone interact. energy: -2.564 local terms energy: -421.306406 where: bonds (distance) C4'-P energy: -98.969 bonds (distance) P-C4' energy: -100.224 flat angles C4'-P-C4' energy: -110.242 flat angles P-C4'-P energy: -57.583 tors. eta vs tors. theta energy: -54.288 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 242 Temperature: 1.250000 Total energy: -771.758065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -771.758065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -771.758065 (E_RNA) where: Base-Base interactions energy: -374.814 where: short stacking energy: -226.791 Base-Backbone interact. energy: 1.103 local terms energy: -398.047443 where: bonds (distance) C4'-P energy: -105.932 bonds (distance) P-C4' energy: -117.226 flat angles C4'-P-C4' energy: -94.606 flat angles P-C4'-P energy: -71.152 tors. eta vs tors. theta energy: -9.131 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 242 Temperature: 1.300000 Total energy: -624.513293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -624.513293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -624.513293 (E_RNA) where: Base-Base interactions energy: -279.008 where: short stacking energy: -167.401 Base-Backbone interact. energy: 2.941 local terms energy: -348.445809 where: bonds (distance) C4'-P energy: -115.591 bonds (distance) P-C4' energy: -105.012 flat angles C4'-P-C4' energy: -90.931 flat angles P-C4'-P energy: -59.146 tors. eta vs tors. theta energy: 22.234 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: 4 ===================================== Write number: 242 Temperature: 1.350000 Total energy: -524.903380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -524.903380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -524.903380 (E_RNA) where: Base-Base interactions energy: -221.784 where: short stacking energy: -146.101 Base-Backbone interact. energy: 6.228 local terms energy: -309.347758 where: bonds (distance) C4'-P energy: -107.686 bonds (distance) P-C4' energy: -111.548 flat angles C4'-P-C4' energy: -82.470 flat angles P-C4'-P energy: -49.735 tors. eta vs tors. theta energy: 42.091 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 243 Temperature: 0.900000 Total energy: -2311.783354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2311.783354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2311.783354 (E_RNA) where: Base-Base interactions energy: -1553.310 where: short stacking energy: -639.524 Base-Backbone interact. energy: -4.006 local terms energy: -754.466598 where: bonds (distance) C4'-P energy: -141.901 bonds (distance) P-C4' energy: -138.894 flat angles C4'-P-C4' energy: -157.021 flat angles P-C4'-P energy: -101.416 tors. eta vs tors. theta energy: -215.235 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: 5 ===================================== Write number: 243 Temperature: 0.950000 Total energy: -2160.477977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2160.477977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2160.477977 (E_RNA) where: Base-Base interactions energy: -1451.635 where: short stacking energy: -636.907 Base-Backbone interact. energy: -3.526 local terms energy: -705.316374 where: bonds (distance) C4'-P energy: -125.470 bonds (distance) P-C4' energy: -137.864 flat angles C4'-P-C4' energy: -152.446 flat angles P-C4'-P energy: -95.795 tors. eta vs tors. theta energy: -193.742 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: 7 ===================================== Write number: 243 Temperature: 1.000000 Total energy: -2027.693087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2027.693087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2027.693087 (E_RNA) where: Base-Base interactions energy: -1340.343 where: short stacking energy: -572.741 Base-Backbone interact. energy: -2.996 local terms energy: -684.354341 where: bonds (distance) C4'-P energy: -119.979 bonds (distance) P-C4' energy: -135.207 flat angles C4'-P-C4' energy: -147.081 flat angles P-C4'-P energy: -99.763 tors. eta vs tors. theta energy: -182.324 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: 10 ===================================== Write number: 243 Temperature: 1.050000 Total energy: -1962.501052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1962.501052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1962.501052 (E_RNA) where: Base-Base interactions energy: -1319.064 where: short stacking energy: -542.399 Base-Backbone interact. energy: -2.752 local terms energy: -640.685036 where: bonds (distance) C4'-P energy: -123.707 bonds (distance) P-C4' energy: -128.651 flat angles C4'-P-C4' energy: -138.634 flat angles P-C4'-P energy: -78.749 tors. eta vs tors. theta energy: -170.944 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: 243 Temperature: 1.100000 Total energy: -1833.766755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1833.766755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1833.766755 (E_RNA) where: Base-Base interactions energy: -1231.731 where: short stacking energy: -514.212 Base-Backbone interact. energy: 0.367 local terms energy: -602.402819 where: bonds (distance) C4'-P energy: -120.380 bonds (distance) P-C4' energy: -124.153 flat angles C4'-P-C4' energy: -128.201 flat angles P-C4'-P energy: -82.189 tors. eta vs tors. theta energy: -147.479 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 243 Temperature: 1.150000 Total energy: -1624.269684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1624.269684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1624.269684 (E_RNA) where: Base-Base interactions energy: -1084.645 where: short stacking energy: -447.008 Base-Backbone interact. energy: -1.504 local terms energy: -538.120617 where: bonds (distance) C4'-P energy: -108.036 bonds (distance) P-C4' energy: -113.743 flat angles C4'-P-C4' energy: -115.664 flat angles P-C4'-P energy: -86.991 tors. eta vs tors. theta energy: -113.686 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: 1 ===================================== Write number: 243 Temperature: 1.200000 Total energy: -1091.546713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1091.546713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1091.546713 (E_RNA) where: Base-Base interactions energy: -640.311 where: short stacking energy: -306.484 Base-Backbone interact. energy: -1.503 local terms energy: -449.731850 where: bonds (distance) C4'-P energy: -106.622 bonds (distance) P-C4' energy: -116.144 flat angles C4'-P-C4' energy: -116.853 flat angles P-C4'-P energy: -66.311 tors. eta vs tors. theta energy: -43.801 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: 3 ===================================== Write number: 243 Temperature: 1.250000 Total energy: -795.876437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -795.876437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -795.876437 (E_RNA) where: Base-Base interactions energy: -360.134 where: short stacking energy: -220.725 Base-Backbone interact. energy: 5.634 local terms energy: -441.376057 where: bonds (distance) C4'-P energy: -121.031 bonds (distance) P-C4' energy: -130.312 flat angles C4'-P-C4' energy: -103.599 flat angles P-C4'-P energy: -54.413 tors. eta vs tors. theta energy: -32.020 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: 9 ===================================== Write number: 243 Temperature: 1.300000 Total energy: -647.474198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -647.474198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -647.474198 (E_RNA) where: Base-Base interactions energy: -282.261 where: short stacking energy: -192.885 Base-Backbone interact. energy: 2.115 local terms energy: -367.328415 where: bonds (distance) C4'-P energy: -116.957 bonds (distance) P-C4' energy: -131.142 flat angles C4'-P-C4' energy: -77.308 flat angles P-C4'-P energy: -56.237 tors. eta vs tors. theta energy: 14.316 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 243 Temperature: 1.350000 Total energy: -482.048512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -482.048512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -482.048512 (E_RNA) where: Base-Base interactions energy: -150.922 where: short stacking energy: -115.627 Base-Backbone interact. energy: 3.381 local terms energy: -334.553277 where: bonds (distance) C4'-P energy: -105.006 bonds (distance) P-C4' energy: -125.478 flat angles C4'-P-C4' energy: -79.896 flat angles P-C4'-P energy: -59.309 tors. eta vs tors. theta energy: 35.135 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.046 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 244 Temperature: 0.900000 Total energy: -2281.561344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2281.561344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2281.561344 (E_RNA) where: Base-Base interactions energy: -1546.594 where: short stacking energy: -654.070 Base-Backbone interact. energy: -5.456 local terms energy: -729.511532 where: bonds (distance) C4'-P energy: -136.896 bonds (distance) P-C4' energy: -132.946 flat angles C4'-P-C4' energy: -149.325 flat angles P-C4'-P energy: -95.761 tors. eta vs tors. theta energy: -214.583 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 244 Temperature: 0.950000 Total energy: -2165.513705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2165.513705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2165.513705 (E_RNA) where: Base-Base interactions energy: -1439.703 where: short stacking energy: -614.611 Base-Backbone interact. energy: -2.220 local terms energy: -723.590926 where: bonds (distance) C4'-P energy: -135.415 bonds (distance) P-C4' energy: -133.341 flat angles C4'-P-C4' energy: -150.006 flat angles P-C4'-P energy: -111.521 tors. eta vs tors. theta energy: -193.308 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: 10 ===================================== Write number: 244 Temperature: 1.000000 Total energy: -2051.771247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2051.771247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2051.771247 (E_RNA) where: Base-Base interactions energy: -1373.558 where: short stacking energy: -564.786 Base-Backbone interact. energy: -0.447 local terms energy: -677.765663 where: bonds (distance) C4'-P energy: -133.157 bonds (distance) P-C4' energy: -133.324 flat angles C4'-P-C4' energy: -134.339 flat angles P-C4'-P energy: -100.429 tors. eta vs tors. theta energy: -176.517 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: 7 ===================================== Write number: 244 Temperature: 1.050000 Total energy: -2012.994728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2012.994728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2012.994728 (E_RNA) where: Base-Base interactions energy: -1341.778 where: short stacking energy: -578.502 Base-Backbone interact. energy: 2.864 local terms energy: -674.080780 where: bonds (distance) C4'-P energy: -120.708 bonds (distance) P-C4' energy: -126.658 flat angles C4'-P-C4' energy: -141.453 flat angles P-C4'-P energy: -91.915 tors. eta vs tors. theta energy: -193.347 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 244 Temperature: 1.100000 Total energy: -1807.910279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1807.910279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1807.910279 (E_RNA) where: Base-Base interactions energy: -1206.360 where: short stacking energy: -512.920 Base-Backbone interact. energy: -1.893 local terms energy: -599.656728 where: bonds (distance) C4'-P energy: -111.863 bonds (distance) P-C4' energy: -121.892 flat angles C4'-P-C4' energy: -125.791 flat angles P-C4'-P energy: -88.521 tors. eta vs tors. theta energy: -151.590 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 244 Temperature: 1.150000 Total energy: -1606.542261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1606.542261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1606.542261 (E_RNA) where: Base-Base interactions energy: -1063.563 where: short stacking energy: -435.075 Base-Backbone interact. energy: -0.630 local terms energy: -542.349641 where: bonds (distance) C4'-P energy: -105.888 bonds (distance) P-C4' energy: -125.297 flat angles C4'-P-C4' energy: -120.786 flat angles P-C4'-P energy: -67.753 tors. eta vs tors. theta energy: -122.625 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: 1 ===================================== Write number: 244 Temperature: 1.200000 Total energy: -1043.363665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1043.363665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1043.363665 (E_RNA) where: Base-Base interactions energy: -590.799 where: short stacking energy: -294.454 Base-Backbone interact. energy: -2.868 local terms energy: -449.696372 where: bonds (distance) C4'-P energy: -113.926 bonds (distance) P-C4' energy: -134.572 flat angles C4'-P-C4' energy: -114.216 flat angles P-C4'-P energy: -63.738 tors. eta vs tors. theta energy: -23.245 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 244 Temperature: 1.250000 Total energy: -765.423247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -765.423247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -765.423247 (E_RNA) where: Base-Base interactions energy: -383.162 where: short stacking energy: -213.844 Base-Backbone interact. energy: 9.298 local terms energy: -391.558900 where: bonds (distance) C4'-P energy: -112.053 bonds (distance) P-C4' energy: -112.762 flat angles C4'-P-C4' energy: -98.015 flat angles P-C4'-P energy: -64.366 tors. eta vs tors. theta energy: -4.363 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 244 Temperature: 1.300000 Total energy: -634.941678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -634.941678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -634.941678 (E_RNA) where: Base-Base interactions energy: -285.974 where: short stacking energy: -181.670 Base-Backbone interact. energy: 8.091 local terms energy: -357.058143 where: bonds (distance) C4'-P energy: -103.390 bonds (distance) P-C4' energy: -115.935 flat angles C4'-P-C4' energy: -78.861 flat angles P-C4'-P energy: -52.529 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: 10, replica: 4 ===================================== Write number: 244 Temperature: 1.350000 Total energy: -464.045593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -464.045593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -464.045593 (E_RNA) where: Base-Base interactions energy: -152.135 where: short stacking energy: -121.338 Base-Backbone interact. energy: 4.180 local terms energy: -316.091028 where: bonds (distance) C4'-P energy: -104.948 bonds (distance) P-C4' energy: -122.429 flat angles C4'-P-C4' energy: -88.292 flat angles P-C4'-P energy: -40.804 tors. eta vs tors. theta energy: 40.382 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 245 Temperature: 0.900000 Total energy: -2302.644493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2302.644493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2302.644493 (E_RNA) where: Base-Base interactions energy: -1544.869 where: short stacking energy: -619.124 Base-Backbone interact. energy: -0.199 local terms energy: -757.576250 where: bonds (distance) C4'-P energy: -140.325 bonds (distance) P-C4' energy: -144.491 flat angles C4'-P-C4' energy: -156.595 flat angles P-C4'-P energy: -103.296 tors. eta vs tors. theta energy: -212.868 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 245 Temperature: 0.950000 Total energy: -2156.173421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2156.173421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2156.173421 (E_RNA) where: Base-Base interactions energy: -1465.341 where: short stacking energy: -619.212 Base-Backbone interact. energy: -1.328 local terms energy: -689.504151 where: bonds (distance) C4'-P energy: -122.325 bonds (distance) P-C4' energy: -129.572 flat angles C4'-P-C4' energy: -148.471 flat angles P-C4'-P energy: -100.339 tors. eta vs tors. theta energy: -188.798 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 245 Temperature: 1.000000 Total energy: -2049.778178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2049.778178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2049.778178 (E_RNA) where: Base-Base interactions energy: -1402.442 where: short stacking energy: -587.418 Base-Backbone interact. energy: -1.735 local terms energy: -645.601209 where: bonds (distance) C4'-P energy: -122.375 bonds (distance) P-C4' energy: -116.390 flat angles C4'-P-C4' energy: -143.360 flat angles P-C4'-P energy: -80.888 tors. eta vs tors. theta energy: -182.589 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: 7 ===================================== Write number: 245 Temperature: 1.050000 Total energy: -1970.805888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1970.805888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1970.805888 (E_RNA) where: Base-Base interactions energy: -1311.216 where: short stacking energy: -556.412 Base-Backbone interact. energy: -1.640 local terms energy: -657.950251 where: bonds (distance) C4'-P energy: -119.711 bonds (distance) P-C4' energy: -117.580 flat angles C4'-P-C4' energy: -145.548 flat angles P-C4'-P energy: -100.074 tors. eta vs tors. theta energy: -175.037 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: 6 ===================================== Write number: 245 Temperature: 1.100000 Total energy: -1776.710350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1776.710350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1776.710350 (E_RNA) where: Base-Base interactions energy: -1207.474 where: short stacking energy: -497.954 Base-Backbone interact. energy: -1.081 local terms energy: -568.154884 where: bonds (distance) C4'-P energy: -114.817 bonds (distance) P-C4' energy: -118.779 flat angles C4'-P-C4' energy: -117.057 flat angles P-C4'-P energy: -69.377 tors. eta vs tors. theta energy: -148.126 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 245 Temperature: 1.150000 Total energy: -1624.223226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1624.223226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1624.223226 (E_RNA) where: Base-Base interactions energy: -1062.824 where: short stacking energy: -442.894 Base-Backbone interact. energy: -0.449 local terms energy: -560.949651 where: bonds (distance) C4'-P energy: -107.138 bonds (distance) P-C4' energy: -112.717 flat angles C4'-P-C4' energy: -129.364 flat angles P-C4'-P energy: -83.062 tors. eta vs tors. theta energy: -128.670 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 245 Temperature: 1.200000 Total energy: -1064.881158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1064.881158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1064.881158 (E_RNA) where: Base-Base interactions energy: -626.536 where: short stacking energy: -280.528 Base-Backbone interact. energy: 2.920 local terms energy: -441.265162 where: bonds (distance) C4'-P energy: -99.839 bonds (distance) P-C4' energy: -133.439 flat angles C4'-P-C4' energy: -111.220 flat angles P-C4'-P energy: -59.908 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: 8, replica: 3 ===================================== Write number: 245 Temperature: 1.250000 Total energy: -779.795409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -779.795409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -779.795409 (E_RNA) where: Base-Base interactions energy: -368.132 where: short stacking energy: -224.038 Base-Backbone interact. energy: -0.411 local terms energy: -411.252102 where: bonds (distance) C4'-P energy: -119.002 bonds (distance) P-C4' energy: -126.264 flat angles C4'-P-C4' energy: -84.326 flat angles P-C4'-P energy: -70.663 tors. eta vs tors. theta energy: -10.996 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: 9, replica: 9 ===================================== Write number: 245 Temperature: 1.300000 Total energy: -611.372644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -611.372644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -611.372644 (E_RNA) where: Base-Base interactions energy: -280.242 where: short stacking energy: -203.907 Base-Backbone interact. energy: 0.372 local terms energy: -331.502575 where: bonds (distance) C4'-P energy: -87.292 bonds (distance) P-C4' energy: -119.234 flat angles C4'-P-C4' energy: -93.835 flat angles P-C4'-P energy: -45.114 tors. eta vs tors. theta energy: 13.973 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 245 Temperature: 1.350000 Total energy: -496.643398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -496.643398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -496.643398 (E_RNA) where: Base-Base interactions energy: -176.759 where: short stacking energy: -112.103 Base-Backbone interact. energy: 3.523 local terms energy: -323.430014 where: bonds (distance) C4'-P energy: -109.912 bonds (distance) P-C4' energy: -117.883 flat angles C4'-P-C4' energy: -91.956 flat angles P-C4'-P energy: -51.264 tors. eta vs tors. theta energy: 47.585 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.023 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 246 Temperature: 0.900000 Total energy: -2271.026978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2271.026978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2271.026978 (E_RNA) where: Base-Base interactions energy: -1563.772 where: short stacking energy: -649.612 Base-Backbone interact. energy: 1.546 local terms energy: -708.801078 where: bonds (distance) C4'-P energy: -120.920 bonds (distance) P-C4' energy: -136.626 flat angles C4'-P-C4' energy: -153.231 flat angles P-C4'-P energy: -86.574 tors. eta vs tors. theta energy: -211.450 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 246 Temperature: 0.950000 Total energy: -2135.061859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2135.061859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2135.061859 (E_RNA) where: Base-Base interactions energy: -1445.123 where: short stacking energy: -593.826 Base-Backbone interact. energy: -2.885 local terms energy: -687.054799 where: bonds (distance) C4'-P energy: -127.649 bonds (distance) P-C4' energy: -138.081 flat angles C4'-P-C4' energy: -148.646 flat angles P-C4'-P energy: -89.585 tors. eta vs tors. theta energy: -183.092 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: 10 ===================================== Write number: 246 Temperature: 1.000000 Total energy: -2049.007776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2049.007776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2049.007776 (E_RNA) where: Base-Base interactions energy: -1379.401 where: short stacking energy: -584.478 Base-Backbone interact. energy: -2.295 local terms energy: -667.311350 where: bonds (distance) C4'-P energy: -119.099 bonds (distance) P-C4' energy: -114.884 flat angles C4'-P-C4' energy: -141.666 flat angles P-C4'-P energy: -101.857 tors. eta vs tors. theta energy: -189.806 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 246 Temperature: 1.050000 Total energy: -1948.187287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1948.187287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1948.187287 (E_RNA) where: Base-Base interactions energy: -1318.160 where: short stacking energy: -538.226 Base-Backbone interact. energy: -1.845 local terms energy: -628.182071 where: bonds (distance) C4'-P energy: -121.009 bonds (distance) P-C4' energy: -113.274 flat angles C4'-P-C4' energy: -137.475 flat angles P-C4'-P energy: -84.920 tors. eta vs tors. theta energy: -171.504 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: 6 ===================================== Write number: 246 Temperature: 1.100000 Total energy: -1812.383001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1812.383001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1812.383001 (E_RNA) where: Base-Base interactions energy: -1196.615 where: short stacking energy: -510.483 Base-Backbone interact. energy: -4.566 local terms energy: -611.202589 where: bonds (distance) C4'-P energy: -127.053 bonds (distance) P-C4' energy: -114.065 flat angles C4'-P-C4' energy: -134.233 flat angles P-C4'-P energy: -97.870 tors. eta vs tors. theta energy: -137.982 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 246 Temperature: 1.150000 Total energy: -1598.132656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1598.132656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1598.132656 (E_RNA) where: Base-Base interactions energy: -1065.757 where: short stacking energy: -429.313 Base-Backbone interact. energy: -2.338 local terms energy: -530.037642 where: bonds (distance) C4'-P energy: -105.304 bonds (distance) P-C4' energy: -115.236 flat angles C4'-P-C4' energy: -109.124 flat angles P-C4'-P energy: -86.809 tors. eta vs tors. theta energy: -113.565 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: 1 ===================================== Write number: 246 Temperature: 1.200000 Total energy: -1103.696097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1103.696097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1103.696097 (E_RNA) where: Base-Base interactions energy: -643.764 where: short stacking energy: -274.907 Base-Backbone interact. energy: -2.940 local terms energy: -456.992691 where: bonds (distance) C4'-P energy: -117.923 bonds (distance) P-C4' energy: -123.723 flat angles C4'-P-C4' energy: -91.118 flat angles P-C4'-P energy: -78.452 tors. eta vs tors. theta energy: -45.776 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: 3 ===================================== Write number: 246 Temperature: 1.250000 Total energy: -787.308149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -787.308149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -787.308149 (E_RNA) where: Base-Base interactions energy: -373.017 where: short stacking energy: -205.041 Base-Backbone interact. energy: 0.263 local terms energy: -414.554011 where: bonds (distance) C4'-P energy: -118.260 bonds (distance) P-C4' energy: -119.070 flat angles C4'-P-C4' energy: -108.934 flat angles P-C4'-P energy: -71.391 tors. eta vs tors. theta energy: 3.101 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: 9, replica: 9 ===================================== Write number: 246 Temperature: 1.300000 Total energy: -585.476950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -585.476950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -585.476950 (E_RNA) where: Base-Base interactions energy: -246.002 where: short stacking energy: -142.368 Base-Backbone interact. energy: 4.876 local terms energy: -344.350813 where: bonds (distance) C4'-P energy: -99.695 bonds (distance) P-C4' energy: -114.228 flat angles C4'-P-C4' energy: -100.215 flat angles P-C4'-P energy: -43.061 tors. eta vs tors. theta energy: 12.848 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 246 Temperature: 1.350000 Total energy: -472.655072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -472.655072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -472.655072 (E_RNA) where: Base-Base interactions energy: -163.013 where: short stacking energy: -126.087 Base-Backbone interact. energy: -1.056 local terms energy: -308.585482 where: bonds (distance) C4'-P energy: -108.621 bonds (distance) P-C4' energy: -104.543 flat angles C4'-P-C4' energy: -73.910 flat angles P-C4'-P energy: -51.237 tors. eta vs tors. theta energy: 29.727 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: 2 ===================================== Write number: 247 Temperature: 0.900000 Total energy: -2256.066864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2256.066864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2256.066864 (E_RNA) where: Base-Base interactions energy: -1538.211 where: short stacking energy: -653.856 Base-Backbone interact. energy: -0.791 local terms energy: -717.064585 where: bonds (distance) C4'-P energy: -114.530 bonds (distance) P-C4' energy: -137.522 flat angles C4'-P-C4' energy: -146.622 flat angles P-C4'-P energy: -108.772 tors. eta vs tors. theta energy: -209.619 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 247 Temperature: 0.950000 Total energy: -2078.563772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2078.563772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2078.563772 (E_RNA) where: Base-Base interactions energy: -1411.949 where: short stacking energy: -571.873 Base-Backbone interact. energy: -1.116 local terms energy: -665.498458 where: bonds (distance) C4'-P energy: -120.536 bonds (distance) P-C4' energy: -121.500 flat angles C4'-P-C4' energy: -144.734 flat angles P-C4'-P energy: -103.814 tors. eta vs tors. theta energy: -174.915 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: 10 ===================================== Write number: 247 Temperature: 1.000000 Total energy: -2032.709415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2032.709415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2032.709415 (E_RNA) where: Base-Base interactions energy: -1383.098 where: short stacking energy: -561.521 Base-Backbone interact. energy: -5.694 local terms energy: -643.917473 where: bonds (distance) C4'-P energy: -111.723 bonds (distance) P-C4' energy: -125.099 flat angles C4'-P-C4' energy: -138.999 flat angles P-C4'-P energy: -89.081 tors. eta vs tors. theta energy: -179.016 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 247 Temperature: 1.050000 Total energy: -1979.113089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1979.113089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1979.113089 (E_RNA) where: Base-Base interactions energy: -1317.250 where: short stacking energy: -547.215 Base-Backbone interact. energy: 2.659 local terms energy: -664.522057 where: bonds (distance) C4'-P energy: -138.914 bonds (distance) P-C4' energy: -121.884 flat angles C4'-P-C4' energy: -129.920 flat angles P-C4'-P energy: -87.530 tors. eta vs tors. theta energy: -186.274 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 247 Temperature: 1.100000 Total energy: -1802.637535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1802.637535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1802.637535 (E_RNA) where: Base-Base interactions energy: -1194.635 where: short stacking energy: -485.342 Base-Backbone interact. energy: -0.576 local terms energy: -607.426165 where: bonds (distance) C4'-P energy: -116.199 bonds (distance) P-C4' energy: -119.923 flat angles C4'-P-C4' energy: -138.113 flat angles P-C4'-P energy: -86.290 tors. eta vs tors. theta energy: -146.902 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 247 Temperature: 1.150000 Total energy: -1673.576046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1673.576046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1673.576046 (E_RNA) where: Base-Base interactions energy: -1137.386 where: short stacking energy: -476.843 Base-Backbone interact. energy: -2.564 local terms energy: -533.626421 where: bonds (distance) C4'-P energy: -92.536 bonds (distance) P-C4' energy: -104.506 flat angles C4'-P-C4' energy: -130.524 flat angles P-C4'-P energy: -79.293 tors. eta vs tors. theta energy: -126.767 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: 1 ===================================== Write number: 247 Temperature: 1.200000 Total energy: -1026.231536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1026.231536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1026.231536 (E_RNA) where: Base-Base interactions energy: -568.752 where: short stacking energy: -288.521 Base-Backbone interact. energy: 0.540 local terms energy: -458.019490 where: bonds (distance) C4'-P energy: -116.438 bonds (distance) P-C4' energy: -118.467 flat angles C4'-P-C4' energy: -108.921 flat angles P-C4'-P energy: -72.774 tors. eta vs tors. theta energy: -41.419 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: 3 ===================================== Write number: 247 Temperature: 1.250000 Total energy: -808.385359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -808.385359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -808.385359 (E_RNA) where: Base-Base interactions energy: -391.198 where: short stacking energy: -233.978 Base-Backbone interact. energy: 2.611 local terms energy: -419.798787 where: bonds (distance) C4'-P energy: -113.503 bonds (distance) P-C4' energy: -107.952 flat angles C4'-P-C4' energy: -95.878 flat angles P-C4'-P energy: -82.618 tors. eta vs tors. theta energy: -19.847 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 247 Temperature: 1.300000 Total energy: -564.316645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -564.316645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -564.316645 (E_RNA) where: Base-Base interactions energy: -238.584 where: short stacking energy: -157.888 Base-Backbone interact. energy: 7.853 local terms energy: -333.585692 where: bonds (distance) C4'-P energy: -94.211 bonds (distance) P-C4' energy: -116.067 flat angles C4'-P-C4' energy: -82.792 flat angles P-C4'-P energy: -64.662 tors. eta vs tors. theta energy: 24.145 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: 4 ===================================== Write number: 247 Temperature: 1.350000 Total energy: -496.373988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -496.373988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -496.373988 (E_RNA) where: Base-Base interactions energy: -186.437 where: short stacking energy: -137.473 Base-Backbone interact. energy: 10.694 local terms energy: -320.630377 where: bonds (distance) C4'-P energy: -99.109 bonds (distance) P-C4' energy: -120.677 flat angles C4'-P-C4' energy: -85.112 flat angles P-C4'-P energy: -50.982 tors. eta vs tors. theta energy: 35.250 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 248 Temperature: 0.900000 Total energy: -2272.239199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2272.239199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2272.239199 (E_RNA) where: Base-Base interactions energy: -1535.912 where: short stacking energy: -634.615 Base-Backbone interact. energy: -3.532 local terms energy: -732.795607 where: bonds (distance) C4'-P energy: -135.179 bonds (distance) P-C4' energy: -133.450 flat angles C4'-P-C4' energy: -151.498 flat angles P-C4'-P energy: -99.740 tors. eta vs tors. theta energy: -212.928 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 248 Temperature: 0.950000 Total energy: -2113.168476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2113.168476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2113.168476 (E_RNA) where: Base-Base interactions energy: -1425.641 where: short stacking energy: -612.045 Base-Backbone interact. energy: -4.293 local terms energy: -683.233973 where: bonds (distance) C4'-P energy: -128.344 bonds (distance) P-C4' energy: -136.944 flat angles C4'-P-C4' energy: -143.690 flat angles P-C4'-P energy: -83.175 tors. eta vs tors. theta energy: -191.082 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 248 Temperature: 1.000000 Total energy: -2065.717525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2065.717525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2065.717525 (E_RNA) where: Base-Base interactions energy: -1402.933 where: short stacking energy: -609.975 Base-Backbone interact. energy: -1.205 local terms energy: -661.579535 where: bonds (distance) C4'-P energy: -124.598 bonds (distance) P-C4' energy: -136.996 flat angles C4'-P-C4' energy: -133.084 flat angles P-C4'-P energy: -76.787 tors. eta vs tors. theta energy: -190.115 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 248 Temperature: 1.050000 Total energy: -1967.390274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1967.390274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1967.390274 (E_RNA) where: Base-Base interactions energy: -1321.110 where: short stacking energy: -544.228 Base-Backbone interact. energy: -2.515 local terms energy: -643.764873 where: bonds (distance) C4'-P energy: -127.747 bonds (distance) P-C4' energy: -135.654 flat angles C4'-P-C4' energy: -127.667 flat angles P-C4'-P energy: -85.589 tors. eta vs tors. theta energy: -167.108 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 248 Temperature: 1.100000 Total energy: -1758.515868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1758.515868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1758.515868 (E_RNA) where: Base-Base interactions energy: -1160.384 where: short stacking energy: -468.735 Base-Backbone interact. energy: 2.150 local terms energy: -600.282615 where: bonds (distance) C4'-P energy: -128.416 bonds (distance) P-C4' energy: -118.539 flat angles C4'-P-C4' energy: -124.673 flat angles P-C4'-P energy: -86.959 tors. eta vs tors. theta energy: -141.695 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 248 Temperature: 1.150000 Total energy: -1672.026822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1672.026822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1672.026822 (E_RNA) where: Base-Base interactions energy: -1100.899 where: short stacking energy: -456.121 Base-Backbone interact. energy: -3.264 local terms energy: -567.863882 where: bonds (distance) C4'-P energy: -106.219 bonds (distance) P-C4' energy: -115.943 flat angles C4'-P-C4' energy: -130.375 flat angles P-C4'-P energy: -86.398 tors. eta vs tors. theta energy: -128.928 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: 1 ===================================== Write number: 248 Temperature: 1.200000 Total energy: -1002.283583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1002.283583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1002.283583 (E_RNA) where: Base-Base interactions energy: -567.687 where: short stacking energy: -259.896 Base-Backbone interact. energy: 0.913 local terms energy: -435.509396 where: bonds (distance) C4'-P energy: -101.402 bonds (distance) P-C4' energy: -109.856 flat angles C4'-P-C4' energy: -109.752 flat angles P-C4'-P energy: -78.628 tors. eta vs tors. theta energy: -35.871 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: 3 ===================================== Write number: 248 Temperature: 1.250000 Total energy: -790.102737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -790.102737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -790.102737 (E_RNA) where: Base-Base interactions energy: -379.043 where: short stacking energy: -207.160 Base-Backbone interact. energy: -1.171 local terms energy: -409.888658 where: bonds (distance) C4'-P energy: -107.727 bonds (distance) P-C4' energy: -138.680 flat angles C4'-P-C4' energy: -77.309 flat angles P-C4'-P energy: -74.179 tors. eta vs tors. theta energy: -11.993 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: 9 ===================================== Write number: 248 Temperature: 1.300000 Total energy: -559.407748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -559.407748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -559.407748 (E_RNA) where: Base-Base interactions energy: -176.381 where: short stacking energy: -124.710 Base-Backbone interact. energy: -0.758 local terms energy: -382.268550 where: bonds (distance) C4'-P energy: -114.476 bonds (distance) P-C4' energy: -121.405 flat angles C4'-P-C4' energy: -108.710 flat angles P-C4'-P energy: -57.986 tors. eta vs tors. theta energy: 20.308 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: 4 ===================================== Write number: 248 Temperature: 1.350000 Total energy: -487.449952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -487.449952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -487.449952 (E_RNA) where: Base-Base interactions energy: -130.976 where: short stacking energy: -108.153 Base-Backbone interact. energy: -1.434 local terms energy: -355.039807 where: bonds (distance) C4'-P energy: -109.829 bonds (distance) P-C4' energy: -115.169 flat angles C4'-P-C4' energy: -91.873 flat angles P-C4'-P energy: -69.019 tors. eta vs tors. theta energy: 30.849 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 249 Temperature: 0.900000 Total energy: -2297.001144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2297.001144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2297.001144 (E_RNA) where: Base-Base interactions energy: -1583.927 where: short stacking energy: -657.414 Base-Backbone interact. energy: -2.751 local terms energy: -710.323324 where: bonds (distance) C4'-P energy: -131.945 bonds (distance) P-C4' energy: -128.283 flat angles C4'-P-C4' energy: -151.886 flat angles P-C4'-P energy: -93.602 tors. eta vs tors. theta energy: -204.608 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: 5 ===================================== Write number: 249 Temperature: 0.950000 Total energy: -2125.121905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2125.121905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2125.121905 (E_RNA) where: Base-Base interactions energy: -1433.328 where: short stacking energy: -593.864 Base-Backbone interact. energy: -1.499 local terms energy: -690.294986 where: bonds (distance) C4'-P energy: -124.979 bonds (distance) P-C4' energy: -132.925 flat angles C4'-P-C4' energy: -150.297 flat angles P-C4'-P energy: -94.146 tors. eta vs tors. theta energy: -187.949 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: 3, replica: 7 ===================================== Write number: 249 Temperature: 1.000000 Total energy: -2069.474599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2069.474599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2069.474599 (E_RNA) where: Base-Base interactions energy: -1383.774 where: short stacking energy: -598.773 Base-Backbone interact. energy: 0.557 local terms energy: -686.258027 where: bonds (distance) C4'-P energy: -113.670 bonds (distance) P-C4' energy: -138.366 flat angles C4'-P-C4' energy: -144.305 flat angles P-C4'-P energy: -98.062 tors. eta vs tors. theta energy: -191.855 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: 4, replica: 10 ===================================== Write number: 249 Temperature: 1.050000 Total energy: -1965.766622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1965.766622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1965.766622 (E_RNA) where: Base-Base interactions energy: -1321.006 where: short stacking energy: -543.286 Base-Backbone interact. energy: -3.048 local terms energy: -641.712543 where: bonds (distance) C4'-P energy: -113.411 bonds (distance) P-C4' energy: -124.754 flat angles C4'-P-C4' energy: -130.464 flat angles P-C4'-P energy: -100.278 tors. eta vs tors. theta energy: -172.806 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 249 Temperature: 1.100000 Total energy: -1793.184784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1793.184784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1793.184784 (E_RNA) where: Base-Base interactions energy: -1212.397 where: short stacking energy: -511.130 Base-Backbone interact. energy: 3.398 local terms energy: -584.185638 where: bonds (distance) C4'-P energy: -115.576 bonds (distance) P-C4' energy: -116.320 flat angles C4'-P-C4' energy: -120.026 flat angles P-C4'-P energy: -74.206 tors. eta vs tors. theta energy: -158.057 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: 6 ===================================== Write number: 249 Temperature: 1.150000 Total energy: -1691.246187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1691.246187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1691.246187 (E_RNA) where: Base-Base interactions energy: -1129.677 where: short stacking energy: -492.314 Base-Backbone interact. energy: -0.923 local terms energy: -560.645739 where: bonds (distance) C4'-P energy: -94.412 bonds (distance) P-C4' energy: -117.038 flat angles C4'-P-C4' energy: -130.217 flat angles P-C4'-P energy: -77.424 tors. eta vs tors. theta energy: -141.555 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 249 Temperature: 1.200000 Total energy: -1006.736960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1006.736960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1006.736960 (E_RNA) where: Base-Base interactions energy: -567.573 where: short stacking energy: -246.530 Base-Backbone interact. energy: 3.796 local terms energy: -442.960410 where: bonds (distance) C4'-P energy: -109.044 bonds (distance) P-C4' energy: -117.540 flat angles C4'-P-C4' energy: -113.565 flat angles P-C4'-P energy: -73.864 tors. eta vs tors. theta energy: -28.947 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: 3 ===================================== Write number: 249 Temperature: 1.250000 Total energy: -896.042521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -896.042521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -896.042521 (E_RNA) where: Base-Base interactions energy: -495.860 where: short stacking energy: -261.432 Base-Backbone interact. energy: -3.964 local terms energy: -396.217850 where: bonds (distance) C4'-P energy: -93.744 bonds (distance) P-C4' energy: -124.890 flat angles C4'-P-C4' energy: -86.031 flat angles P-C4'-P energy: -51.131 tors. eta vs tors. theta energy: -40.423 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 249 Temperature: 1.300000 Total energy: -546.854160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -546.854160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -546.854160 (E_RNA) where: Base-Base interactions energy: -173.181 where: short stacking energy: -122.351 Base-Backbone interact. energy: -3.558 local terms energy: -370.115201 where: bonds (distance) C4'-P energy: -116.333 bonds (distance) P-C4' energy: -125.035 flat angles C4'-P-C4' energy: -96.564 flat angles P-C4'-P energy: -64.054 tors. eta vs tors. theta energy: 31.871 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 249 Temperature: 1.350000 Total energy: -521.993789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -521.993789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -521.993789 (E_RNA) where: Base-Base interactions energy: -180.975 where: short stacking energy: -117.741 Base-Backbone interact. energy: -2.117 local terms energy: -338.901599 where: bonds (distance) C4'-P energy: -92.716 bonds (distance) P-C4' energy: -120.059 flat angles C4'-P-C4' energy: -80.364 flat angles P-C4'-P energy: -60.317 tors. eta vs tors. theta energy: 14.554 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 250 Temperature: 0.900000 Total energy: -2305.114440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2305.114440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2305.114440 (E_RNA) where: Base-Base interactions energy: -1581.654 where: short stacking energy: -642.140 Base-Backbone interact. energy: -1.658 local terms energy: -721.802542 where: bonds (distance) C4'-P energy: -127.511 bonds (distance) P-C4' energy: -139.645 flat angles C4'-P-C4' energy: -151.596 flat angles P-C4'-P energy: -99.213 tors. eta vs tors. theta energy: -203.839 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: 5 ===================================== Write number: 250 Temperature: 0.950000 Total energy: -2131.013871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2131.013871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2131.013871 (E_RNA) where: Base-Base interactions energy: -1446.909 where: short stacking energy: -597.000 Base-Backbone interact. energy: -4.665 local terms energy: -679.439655 where: bonds (distance) C4'-P energy: -128.747 bonds (distance) P-C4' energy: -127.321 flat angles C4'-P-C4' energy: -145.400 flat angles P-C4'-P energy: -101.382 tors. eta vs tors. theta energy: -176.590 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 250 Temperature: 1.000000 Total energy: -2060.622019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2060.622019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2060.622019 (E_RNA) where: Base-Base interactions energy: -1383.408 where: short stacking energy: -586.357 Base-Backbone interact. energy: -0.950 local terms energy: -676.264181 where: bonds (distance) C4'-P energy: -124.342 bonds (distance) P-C4' energy: -133.074 flat angles C4'-P-C4' energy: -141.405 flat angles P-C4'-P energy: -90.934 tors. eta vs tors. theta energy: -186.509 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: 10 ===================================== Write number: 250 Temperature: 1.050000 Total energy: -1963.414773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1963.414773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1963.414773 (E_RNA) where: Base-Base interactions energy: -1314.512 where: short stacking energy: -545.145 Base-Backbone interact. energy: -4.345 local terms energy: -644.557232 where: bonds (distance) C4'-P energy: -113.965 bonds (distance) P-C4' energy: -127.560 flat angles C4'-P-C4' energy: -137.810 flat angles P-C4'-P energy: -87.563 tors. eta vs tors. theta energy: -177.658 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: 250 Temperature: 1.100000 Total energy: -1820.472099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1820.472099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1820.472099 (E_RNA) where: Base-Base interactions energy: -1196.083 where: short stacking energy: -476.844 Base-Backbone interact. energy: -2.270 local terms energy: -622.119107 where: bonds (distance) C4'-P energy: -128.590 bonds (distance) P-C4' energy: -126.687 flat angles C4'-P-C4' energy: -136.568 flat angles P-C4'-P energy: -89.268 tors. eta vs tors. theta energy: -141.007 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: 6 ===================================== Write number: 250 Temperature: 1.150000 Total energy: -1769.670508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1769.670508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1769.670508 (E_RNA) where: Base-Base interactions energy: -1178.972 where: short stacking energy: -484.152 Base-Backbone interact. energy: -0.867 local terms energy: -589.832147 where: bonds (distance) C4'-P energy: -106.969 bonds (distance) P-C4' energy: -121.281 flat angles C4'-P-C4' energy: -137.850 flat angles P-C4'-P energy: -83.306 tors. eta vs tors. theta energy: -140.425 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 250 Temperature: 1.200000 Total energy: -992.041042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -992.041042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -992.041042 (E_RNA) where: Base-Base interactions energy: -560.185 where: short stacking energy: -267.795 Base-Backbone interact. energy: -1.088 local terms energy: -430.768092 where: bonds (distance) C4'-P energy: -103.747 bonds (distance) P-C4' energy: -130.021 flat angles C4'-P-C4' energy: -116.165 flat angles P-C4'-P energy: -57.600 tors. eta vs tors. theta energy: -23.235 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 250 Temperature: 1.250000 Total energy: -900.232340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -900.232340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -900.232340 (E_RNA) where: Base-Base interactions energy: -468.811 where: short stacking energy: -269.610 Base-Backbone interact. energy: -2.173 local terms energy: -429.247866 where: bonds (distance) C4'-P energy: -109.689 bonds (distance) P-C4' energy: -131.735 flat angles C4'-P-C4' energy: -109.015 flat angles P-C4'-P energy: -43.359 tors. eta vs tors. theta energy: -35.451 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: 4 ===================================== Write number: 250 Temperature: 1.300000 Total energy: -599.860388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -599.860388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -599.860388 (E_RNA) where: Base-Base interactions energy: -240.604 where: short stacking energy: -172.548 Base-Backbone interact. energy: 0.699 local terms energy: -359.955840 where: bonds (distance) C4'-P energy: -95.966 bonds (distance) P-C4' energy: -114.164 flat angles C4'-P-C4' energy: -101.793 flat angles P-C4'-P energy: -49.428 tors. eta vs tors. theta energy: 1.395 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 250 Temperature: 1.350000 Total energy: -585.962114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -585.962114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -585.962114 (E_RNA) where: Base-Base interactions energy: -236.376 where: short stacking energy: -140.823 Base-Backbone interact. energy: 4.658 local terms energy: -354.243757 where: bonds (distance) C4'-P energy: -116.790 bonds (distance) P-C4' energy: -134.892 flat angles C4'-P-C4' energy: -85.147 flat angles P-C4'-P energy: -38.239 tors. eta vs tors. theta energy: 20.824 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 251 Temperature: 0.900000 Total energy: -2289.558226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2289.558226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2289.558226 (E_RNA) where: Base-Base interactions energy: -1551.964 where: short stacking energy: -630.553 Base-Backbone interact. energy: 0.187 local terms energy: -737.781600 where: bonds (distance) C4'-P energy: -142.125 bonds (distance) P-C4' energy: -131.990 flat angles C4'-P-C4' energy: -154.125 flat angles P-C4'-P energy: -100.183 tors. eta vs tors. theta energy: -209.359 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: 5 ===================================== Write number: 251 Temperature: 0.950000 Total energy: -2116.054532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2116.054532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2116.054532 (E_RNA) where: Base-Base interactions energy: -1452.218 where: short stacking energy: -600.004 Base-Backbone interact. energy: -1.276 local terms energy: -662.560755 where: bonds (distance) C4'-P energy: -118.498 bonds (distance) P-C4' energy: -121.928 flat angles C4'-P-C4' energy: -145.340 flat angles P-C4'-P energy: -106.207 tors. eta vs tors. theta energy: -170.587 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 251 Temperature: 1.000000 Total energy: -2068.536248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2068.536248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2068.536248 (E_RNA) where: Base-Base interactions energy: -1396.706 where: short stacking energy: -591.271 Base-Backbone interact. energy: -3.791 local terms energy: -668.039621 where: bonds (distance) C4'-P energy: -123.403 bonds (distance) P-C4' energy: -131.233 flat angles C4'-P-C4' energy: -137.415 flat angles P-C4'-P energy: -92.070 tors. eta vs tors. theta energy: -183.918 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: 10 ===================================== Write number: 251 Temperature: 1.050000 Total energy: -1924.461728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1924.461728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1924.461728 (E_RNA) where: Base-Base interactions energy: -1286.538 where: short stacking energy: -548.939 Base-Backbone interact. energy: -1.078 local terms energy: -636.846369 where: bonds (distance) C4'-P energy: -117.345 bonds (distance) P-C4' energy: -123.305 flat angles C4'-P-C4' energy: -141.644 flat angles P-C4'-P energy: -86.993 tors. eta vs tors. theta energy: -167.560 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 251 Temperature: 1.100000 Total energy: -1875.359456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1875.359456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1875.359456 (E_RNA) where: Base-Base interactions energy: -1291.885 where: short stacking energy: -535.189 Base-Backbone interact. energy: -0.988 local terms energy: -582.486524 where: bonds (distance) C4'-P energy: -112.802 bonds (distance) P-C4' energy: -90.450 flat angles C4'-P-C4' energy: -140.292 flat angles P-C4'-P energy: -74.771 tors. eta vs tors. theta energy: -164.172 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 251 Temperature: 1.150000 Total energy: -1704.289692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1704.289692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1704.289692 (E_RNA) where: Base-Base interactions energy: -1144.589 where: short stacking energy: -461.326 Base-Backbone interact. energy: -2.715 local terms energy: -556.985852 where: bonds (distance) C4'-P energy: -106.453 bonds (distance) P-C4' energy: -104.915 flat angles C4'-P-C4' energy: -122.987 flat angles P-C4'-P energy: -77.349 tors. eta vs tors. theta energy: -145.283 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: 1 ===================================== Write number: 251 Temperature: 1.200000 Total energy: -975.167995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -975.167995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -975.167995 (E_RNA) where: Base-Base interactions energy: -544.298 where: short stacking energy: -268.390 Base-Backbone interact. energy: 1.186 local terms energy: -432.055883 where: bonds (distance) C4'-P energy: -110.398 bonds (distance) P-C4' energy: -113.382 flat angles C4'-P-C4' energy: -106.665 flat angles P-C4'-P energy: -63.261 tors. eta vs tors. theta energy: -38.350 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: 3 ===================================== Write number: 251 Temperature: 1.250000 Total energy: -861.530517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -861.530517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -861.530517 (E_RNA) where: Base-Base interactions energy: -460.305 where: short stacking energy: -236.527 Base-Backbone interact. energy: 5.045 local terms energy: -406.270535 where: bonds (distance) C4'-P energy: -105.533 bonds (distance) P-C4' energy: -115.768 flat angles C4'-P-C4' energy: -86.157 flat angles P-C4'-P energy: -71.133 tors. eta vs tors. theta energy: -27.681 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 251 Temperature: 1.300000 Total energy: -604.318622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -604.318622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -604.318622 (E_RNA) where: Base-Base interactions energy: -248.170 where: short stacking energy: -152.071 Base-Backbone interact. energy: 1.882 local terms energy: -358.030453 where: bonds (distance) C4'-P energy: -122.973 bonds (distance) P-C4' energy: -104.230 flat angles C4'-P-C4' energy: -100.100 flat angles P-C4'-P energy: -49.252 tors. eta vs tors. theta energy: 18.524 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 251 Temperature: 1.350000 Total energy: -608.590236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -608.590236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -608.590236 (E_RNA) where: Base-Base interactions energy: -253.485 where: short stacking energy: -153.379 Base-Backbone interact. energy: -3.899 local terms energy: -351.206661 where: bonds (distance) C4'-P energy: -99.942 bonds (distance) P-C4' energy: -108.330 flat angles C4'-P-C4' energy: -102.179 flat angles P-C4'-P energy: -53.867 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: 2 ===================================== Write number: 252 Temperature: 0.900000 Total energy: -2258.665077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2258.665077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2258.665077 (E_RNA) where: Base-Base interactions energy: -1527.772 where: short stacking energy: -652.754 Base-Backbone interact. energy: -0.118 local terms energy: -730.774738 where: bonds (distance) C4'-P energy: -132.764 bonds (distance) P-C4' energy: -134.499 flat angles C4'-P-C4' energy: -150.955 flat angles P-C4'-P energy: -109.175 tors. eta vs tors. theta energy: -203.382 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 252 Temperature: 0.950000 Total energy: -2138.985217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2138.985217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2138.985217 (E_RNA) where: Base-Base interactions energy: -1460.034 where: short stacking energy: -577.857 Base-Backbone interact. energy: 1.208 local terms energy: -680.158934 where: bonds (distance) C4'-P energy: -146.984 bonds (distance) P-C4' energy: -120.373 flat angles C4'-P-C4' energy: -149.627 flat angles P-C4'-P energy: -89.755 tors. eta vs tors. theta energy: -173.419 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 252 Temperature: 1.000000 Total energy: -2031.875623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2031.875623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2031.875623 (E_RNA) where: Base-Base interactions energy: -1357.614 where: short stacking energy: -573.396 Base-Backbone interact. energy: 2.595 local terms energy: -676.856343 where: bonds (distance) C4'-P energy: -131.118 bonds (distance) P-C4' energy: -129.893 flat angles C4'-P-C4' energy: -138.495 flat angles P-C4'-P energy: -88.582 tors. eta vs tors. theta energy: -188.767 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 252 Temperature: 1.050000 Total energy: -1911.992667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1911.992667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1911.992667 (E_RNA) where: Base-Base interactions energy: -1260.889 where: short stacking energy: -531.151 Base-Backbone interact. energy: -3.130 local terms energy: -647.973616 where: bonds (distance) C4'-P energy: -132.005 bonds (distance) P-C4' energy: -125.896 flat angles C4'-P-C4' energy: -142.201 flat angles P-C4'-P energy: -84.702 tors. eta vs tors. theta energy: -163.169 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 252 Temperature: 1.100000 Total energy: -1825.762143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1825.762143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1825.762143 (E_RNA) where: Base-Base interactions energy: -1243.337 where: short stacking energy: -529.444 Base-Backbone interact. energy: 3.681 local terms energy: -586.106425 where: bonds (distance) C4'-P energy: -104.487 bonds (distance) P-C4' energy: -119.791 flat angles C4'-P-C4' energy: -133.161 flat angles P-C4'-P energy: -76.675 tors. eta vs tors. theta energy: -151.993 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 252 Temperature: 1.150000 Total energy: -1700.357015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1700.357015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1700.357015 (E_RNA) where: Base-Base interactions energy: -1137.405 where: short stacking energy: -468.329 Base-Backbone interact. energy: -1.828 local terms energy: -561.124249 where: bonds (distance) C4'-P energy: -109.095 bonds (distance) P-C4' energy: -110.667 flat angles C4'-P-C4' energy: -122.863 flat angles P-C4'-P energy: -95.697 tors. eta vs tors. theta energy: -122.802 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 252 Temperature: 1.200000 Total energy: -1041.308999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1041.308999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1041.308999 (E_RNA) where: Base-Base interactions energy: -597.815 where: short stacking energy: -319.193 Base-Backbone interact. energy: -1.977 local terms energy: -441.516802 where: bonds (distance) C4'-P energy: -104.421 bonds (distance) P-C4' energy: -102.300 flat angles C4'-P-C4' energy: -112.353 flat angles P-C4'-P energy: -68.828 tors. eta vs tors. theta energy: -53.615 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 252 Temperature: 1.250000 Total energy: -874.409841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -874.409841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -874.409841 (E_RNA) where: Base-Base interactions energy: -493.602 where: short stacking energy: -266.751 Base-Backbone interact. energy: -0.725 local terms energy: -380.082823 where: bonds (distance) C4'-P energy: -110.805 bonds (distance) P-C4' energy: -106.984 flat angles C4'-P-C4' energy: -86.609 flat angles P-C4'-P energy: -54.032 tors. eta vs tors. theta energy: -21.653 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 252 Temperature: 1.300000 Total energy: -666.754579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -666.754579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -666.754579 (E_RNA) where: Base-Base interactions energy: -291.910 where: short stacking energy: -184.583 Base-Backbone interact. energy: 3.199 local terms energy: -378.044004 where: bonds (distance) C4'-P energy: -112.016 bonds (distance) P-C4' energy: -128.896 flat angles C4'-P-C4' energy: -84.611 flat angles P-C4'-P energy: -37.687 tors. eta vs tors. theta energy: -14.834 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 252 Temperature: 1.350000 Total energy: -593.313817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -593.313817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -593.313817 (E_RNA) where: Base-Base interactions energy: -246.188 where: short stacking energy: -180.769 Base-Backbone interact. energy: 4.318 local terms energy: -351.444649 where: bonds (distance) C4'-P energy: -107.911 bonds (distance) P-C4' energy: -102.195 flat angles C4'-P-C4' energy: -92.207 flat angles P-C4'-P energy: -40.172 tors. eta vs tors. theta energy: -8.960 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 253 Temperature: 0.900000 Total energy: -2290.701686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2290.701686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2290.701686 (E_RNA) where: Base-Base interactions energy: -1563.687 where: short stacking energy: -649.528 Base-Backbone interact. energy: -4.008 local terms energy: -723.006696 where: bonds (distance) C4'-P energy: -126.914 bonds (distance) P-C4' energy: -137.472 flat angles C4'-P-C4' energy: -151.609 flat angles P-C4'-P energy: -93.994 tors. eta vs tors. theta energy: -213.018 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 253 Temperature: 0.950000 Total energy: -2113.185655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2113.185655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2113.185655 (E_RNA) where: Base-Base interactions energy: -1428.897 where: short stacking energy: -612.010 Base-Backbone interact. energy: -2.208 local terms energy: -682.080082 where: bonds (distance) C4'-P energy: -128.894 bonds (distance) P-C4' energy: -124.402 flat angles C4'-P-C4' energy: -155.489 flat angles P-C4'-P energy: -90.690 tors. eta vs tors. theta energy: -182.606 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 253 Temperature: 1.000000 Total energy: -2071.169309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2071.169309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2071.169309 (E_RNA) where: Base-Base interactions energy: -1399.930 where: short stacking energy: -612.146 Base-Backbone interact. energy: -2.005 local terms energy: -669.234939 where: bonds (distance) C4'-P energy: -108.709 bonds (distance) P-C4' energy: -122.737 flat angles C4'-P-C4' energy: -145.361 flat angles P-C4'-P energy: -86.529 tors. eta vs tors. theta energy: -205.899 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 253 Temperature: 1.050000 Total energy: -1898.846052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1898.846052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1898.846052 (E_RNA) where: Base-Base interactions energy: -1276.320 where: short stacking energy: -547.009 Base-Backbone interact. energy: 0.349 local terms energy: -622.874982 where: bonds (distance) C4'-P energy: -118.273 bonds (distance) P-C4' energy: -113.756 flat angles C4'-P-C4' energy: -136.758 flat angles P-C4'-P energy: -79.659 tors. eta vs tors. theta energy: -174.429 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: 10 ===================================== Write number: 253 Temperature: 1.100000 Total energy: -1853.824219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1853.824219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1853.824219 (E_RNA) where: Base-Base interactions energy: -1250.896 where: short stacking energy: -548.834 Base-Backbone interact. energy: -3.160 local terms energy: -599.767894 where: bonds (distance) C4'-P energy: -105.693 bonds (distance) P-C4' energy: -118.889 flat angles C4'-P-C4' energy: -122.734 flat angles P-C4'-P energy: -82.389 tors. eta vs tors. theta energy: -170.064 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 253 Temperature: 1.150000 Total energy: -1703.436927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1703.436927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1703.436927 (E_RNA) where: Base-Base interactions energy: -1118.672 where: short stacking energy: -443.651 Base-Backbone interact. energy: 0.070 local terms energy: -584.835244 where: bonds (distance) C4'-P energy: -120.658 bonds (distance) P-C4' energy: -122.057 flat angles C4'-P-C4' energy: -119.725 flat angles P-C4'-P energy: -86.464 tors. eta vs tors. theta energy: -135.931 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: 7, replica: 1 ===================================== Write number: 253 Temperature: 1.200000 Total energy: -968.706266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -968.706266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -968.706266 (E_RNA) where: Base-Base interactions energy: -524.931 where: short stacking energy: -262.244 Base-Backbone interact. energy: 3.388 local terms energy: -447.163152 where: bonds (distance) C4'-P energy: -116.028 bonds (distance) P-C4' energy: -126.744 flat angles C4'-P-C4' energy: -87.454 flat angles P-C4'-P energy: -73.613 tors. eta vs tors. theta energy: -43.324 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: 3 ===================================== Write number: 253 Temperature: 1.250000 Total energy: -898.256300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -898.256300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -898.256300 (E_RNA) where: Base-Base interactions energy: -490.288 where: short stacking energy: -238.999 Base-Backbone interact. energy: 2.515 local terms energy: -410.483977 where: bonds (distance) C4'-P energy: -118.532 bonds (distance) P-C4' energy: -117.927 flat angles C4'-P-C4' energy: -94.852 flat angles P-C4'-P energy: -58.283 tors. eta vs tors. theta energy: -20.890 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: 9, replica: 9 ===================================== Write number: 253 Temperature: 1.300000 Total energy: -614.833522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -614.833522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -614.833522 (E_RNA) where: Base-Base interactions energy: -271.736 where: short stacking energy: -145.528 Base-Backbone interact. energy: -1.151 local terms energy: -341.947460 where: bonds (distance) C4'-P energy: -89.136 bonds (distance) P-C4' energy: -112.214 flat angles C4'-P-C4' energy: -100.226 flat angles P-C4'-P energy: -69.703 tors. eta vs tors. theta energy: 29.332 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 253 Temperature: 1.350000 Total energy: -518.950155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -518.950155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -518.950155 (E_RNA) where: Base-Base interactions energy: -174.063 where: short stacking energy: -130.141 Base-Backbone interact. energy: -1.648 local terms energy: -343.238862 where: bonds (distance) C4'-P energy: -102.642 bonds (distance) P-C4' energy: -108.797 flat angles C4'-P-C4' energy: -68.893 flat angles P-C4'-P energy: -66.187 tors. eta vs tors. theta energy: 3.280 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: 2 ===================================== Write number: 254 Temperature: 0.900000 Total energy: -2278.848303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2278.848303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2278.848303 (E_RNA) where: Base-Base interactions energy: -1542.449 where: short stacking energy: -638.341 Base-Backbone interact. energy: -2.443 local terms energy: -733.956578 where: bonds (distance) C4'-P energy: -130.166 bonds (distance) P-C4' energy: -140.368 flat angles C4'-P-C4' energy: -158.708 flat angles P-C4'-P energy: -99.617 tors. eta vs tors. theta energy: -205.098 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 254 Temperature: 0.950000 Total energy: -2102.038497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2102.038497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2102.038497 (E_RNA) where: Base-Base interactions energy: -1427.668 where: short stacking energy: -615.470 Base-Backbone interact. energy: -2.558 local terms energy: -671.812272 where: bonds (distance) C4'-P energy: -117.229 bonds (distance) P-C4' energy: -125.945 flat angles C4'-P-C4' energy: -141.222 flat angles P-C4'-P energy: -94.351 tors. eta vs tors. theta energy: -193.065 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 254 Temperature: 1.000000 Total energy: -2088.111834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2088.111834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2088.111834 (E_RNA) where: Base-Base interactions energy: -1410.026 where: short stacking energy: -608.326 Base-Backbone interact. energy: -1.966 local terms energy: -676.119380 where: bonds (distance) C4'-P energy: -117.122 bonds (distance) P-C4' energy: -121.685 flat angles C4'-P-C4' energy: -155.383 flat angles P-C4'-P energy: -87.004 tors. eta vs tors. theta energy: -194.925 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: 8 ===================================== Write number: 254 Temperature: 1.050000 Total energy: -1888.333962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1888.333962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1888.333962 (E_RNA) where: Base-Base interactions energy: -1263.535 where: short stacking energy: -554.589 Base-Backbone interact. energy: -1.465 local terms energy: -623.334719 where: bonds (distance) C4'-P energy: -112.962 bonds (distance) P-C4' energy: -113.215 flat angles C4'-P-C4' energy: -140.652 flat angles P-C4'-P energy: -91.243 tors. eta vs tors. theta energy: -165.263 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 254 Temperature: 1.100000 Total energy: -1880.569337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1880.569337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1880.569337 (E_RNA) where: Base-Base interactions energy: -1256.402 where: short stacking energy: -540.219 Base-Backbone interact. energy: -5.367 local terms energy: -618.800091 where: bonds (distance) C4'-P energy: -127.337 bonds (distance) P-C4' energy: -110.423 flat angles C4'-P-C4' energy: -129.855 flat angles P-C4'-P energy: -83.160 tors. eta vs tors. theta energy: -168.025 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: 6 ===================================== Write number: 254 Temperature: 1.150000 Total energy: -1696.104957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1696.104957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1696.104957 (E_RNA) where: Base-Base interactions energy: -1138.761 where: short stacking energy: -477.811 Base-Backbone interact. energy: -2.547 local terms energy: -554.797085 where: bonds (distance) C4'-P energy: -99.551 bonds (distance) P-C4' energy: -104.433 flat angles C4'-P-C4' energy: -129.995 flat angles P-C4'-P energy: -81.615 tors. eta vs tors. theta energy: -139.203 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: 1 ===================================== Write number: 254 Temperature: 1.200000 Total energy: -943.082933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -943.082933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -943.082933 (E_RNA) where: Base-Base interactions energy: -477.199 where: short stacking energy: -267.535 Base-Backbone interact. energy: -2.214 local terms energy: -463.669455 where: bonds (distance) C4'-P energy: -132.113 bonds (distance) P-C4' energy: -122.849 flat angles C4'-P-C4' energy: -121.229 flat angles P-C4'-P energy: -47.894 tors. eta vs tors. theta energy: -39.584 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 254 Temperature: 1.250000 Total energy: -852.056569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -852.056569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -852.056569 (E_RNA) where: Base-Base interactions energy: -450.443 where: short stacking energy: -240.483 Base-Backbone interact. energy: 0.533 local terms energy: -402.146092 where: bonds (distance) C4'-P energy: -106.737 bonds (distance) P-C4' energy: -123.617 flat angles C4'-P-C4' energy: -98.651 flat angles P-C4'-P energy: -64.161 tors. eta vs tors. theta energy: -8.979 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 254 Temperature: 1.300000 Total energy: -640.915878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -640.915878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -640.915878 (E_RNA) where: Base-Base interactions energy: -266.722 where: short stacking energy: -153.026 Base-Backbone interact. energy: 1.683 local terms energy: -375.877036 where: bonds (distance) C4'-P energy: -114.056 bonds (distance) P-C4' energy: -102.994 flat angles C4'-P-C4' energy: -97.850 flat angles P-C4'-P energy: -62.194 tors. eta vs tors. theta energy: 1.216 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 254 Temperature: 1.350000 Total energy: -548.131574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -548.131574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -548.131574 (E_RNA) where: Base-Base interactions energy: -217.774 where: short stacking energy: -154.944 Base-Backbone interact. energy: -2.519 local terms energy: -327.839370 where: bonds (distance) C4'-P energy: -110.752 bonds (distance) P-C4' energy: -96.847 flat angles C4'-P-C4' energy: -87.093 flat angles P-C4'-P energy: -53.802 tors. eta vs tors. theta energy: 20.655 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 255 Temperature: 0.900000 Total energy: -2308.427645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2308.427645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2308.427645 (E_RNA) where: Base-Base interactions energy: -1559.122 where: short stacking energy: -637.828 Base-Backbone interact. energy: -4.430 local terms energy: -744.875387 where: bonds (distance) C4'-P energy: -135.860 bonds (distance) P-C4' energy: -144.654 flat angles C4'-P-C4' energy: -159.666 flat angles P-C4'-P energy: -94.923 tors. eta vs tors. theta energy: -209.772 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: 5 ===================================== Write number: 255 Temperature: 0.950000 Total energy: -2116.768066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2116.768066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2116.768066 (E_RNA) where: Base-Base interactions energy: -1454.183 where: short stacking energy: -608.681 Base-Backbone interact. energy: -2.443 local terms energy: -660.142196 where: bonds (distance) C4'-P energy: -124.317 bonds (distance) P-C4' energy: -117.761 flat angles C4'-P-C4' energy: -151.945 flat angles P-C4'-P energy: -87.890 tors. eta vs tors. theta energy: -178.230 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: 7 ===================================== Write number: 255 Temperature: 1.000000 Total energy: -2124.305116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2124.305116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2124.305116 (E_RNA) where: Base-Base interactions energy: -1434.260 where: short stacking energy: -616.700 Base-Backbone interact. energy: -1.737 local terms energy: -688.308669 where: bonds (distance) C4'-P energy: -119.739 bonds (distance) P-C4' energy: -133.682 flat angles C4'-P-C4' energy: -148.380 flat angles P-C4'-P energy: -96.282 tors. eta vs tors. theta energy: -190.226 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 255 Temperature: 1.050000 Total energy: -1915.785065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1915.785065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1915.785065 (E_RNA) where: Base-Base interactions energy: -1304.496 where: short stacking energy: -535.660 Base-Backbone interact. energy: -3.278 local terms energy: -608.011798 where: bonds (distance) C4'-P energy: -129.876 bonds (distance) P-C4' energy: -110.188 flat angles C4'-P-C4' energy: -138.971 flat angles P-C4'-P energy: -67.600 tors. eta vs tors. theta energy: -161.377 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 255 Temperature: 1.100000 Total energy: -1821.687074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1821.687074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1821.687074 (E_RNA) where: Base-Base interactions energy: -1207.780 where: short stacking energy: -520.642 Base-Backbone interact. energy: -0.414 local terms energy: -613.492181 where: bonds (distance) C4'-P energy: -126.813 bonds (distance) P-C4' energy: -119.163 flat angles C4'-P-C4' energy: -127.193 flat angles P-C4'-P energy: -84.075 tors. eta vs tors. theta energy: -156.248 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: 6 ===================================== Write number: 255 Temperature: 1.150000 Total energy: -1706.891873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1706.891873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1706.891873 (E_RNA) where: Base-Base interactions energy: -1097.440 where: short stacking energy: -474.331 Base-Backbone interact. energy: -2.565 local terms energy: -606.887170 where: bonds (distance) C4'-P energy: -123.679 bonds (distance) P-C4' energy: -115.543 flat angles C4'-P-C4' energy: -138.921 flat angles P-C4'-P energy: -87.332 tors. eta vs tors. theta energy: -141.412 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 255 Temperature: 1.200000 Total energy: -919.812409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -919.812409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -919.812409 (E_RNA) where: Base-Base interactions energy: -487.428 where: short stacking energy: -265.173 Base-Backbone interact. energy: 6.894 local terms energy: -439.278261 where: bonds (distance) C4'-P energy: -107.639 bonds (distance) P-C4' energy: -138.426 flat angles C4'-P-C4' energy: -86.487 flat angles P-C4'-P energy: -73.824 tors. eta vs tors. theta energy: -32.903 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 255 Temperature: 1.250000 Total energy: -851.416381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -851.416381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -851.416381 (E_RNA) where: Base-Base interactions energy: -489.907 where: short stacking energy: -246.169 Base-Backbone interact. energy: 0.613 local terms energy: -362.121654 where: bonds (distance) C4'-P energy: -85.254 bonds (distance) P-C4' energy: -114.987 flat angles C4'-P-C4' energy: -99.567 flat angles P-C4'-P energy: -57.384 tors. eta vs tors. theta energy: -4.929 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 255 Temperature: 1.300000 Total energy: -659.762422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -659.762422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -659.762422 (E_RNA) where: Base-Base interactions energy: -291.795 where: short stacking energy: -196.947 Base-Backbone interact. energy: 1.964 local terms energy: -369.931900 where: bonds (distance) C4'-P energy: -109.323 bonds (distance) P-C4' energy: -105.749 flat angles C4'-P-C4' energy: -88.795 flat angles P-C4'-P energy: -68.039 tors. eta vs tors. theta energy: 1.974 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 255 Temperature: 1.350000 Total energy: -502.071745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -502.071745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -502.071745 (E_RNA) where: Base-Base interactions energy: -169.799 where: short stacking energy: -122.596 Base-Backbone interact. energy: 0.819 local terms energy: -333.091353 where: bonds (distance) C4'-P energy: -107.335 bonds (distance) P-C4' energy: -117.983 flat angles C4'-P-C4' energy: -93.451 flat angles P-C4'-P energy: -39.090 tors. eta vs tors. theta energy: 24.768 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 256 Temperature: 0.900000 Total energy: -2278.323365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2278.323365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2278.323365 (E_RNA) where: Base-Base interactions energy: -1558.665 where: short stacking energy: -638.072 Base-Backbone interact. energy: -2.155 local terms energy: -717.503152 where: bonds (distance) C4'-P energy: -124.662 bonds (distance) P-C4' energy: -132.256 flat angles C4'-P-C4' energy: -161.828 flat angles P-C4'-P energy: -92.347 tors. eta vs tors. theta energy: -206.410 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 256 Temperature: 0.950000 Total energy: -2173.445552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2173.445552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2173.445552 (E_RNA) where: Base-Base interactions energy: -1436.037 where: short stacking energy: -620.480 Base-Backbone interact. energy: -1.938 local terms energy: -735.470020 where: bonds (distance) C4'-P energy: -139.870 bonds (distance) P-C4' energy: -138.581 flat angles C4'-P-C4' energy: -147.911 flat angles P-C4'-P energy: -104.930 tors. eta vs tors. theta energy: -204.178 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 256 Temperature: 1.000000 Total energy: -2097.236104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2097.236104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2097.236104 (E_RNA) where: Base-Base interactions energy: -1406.087 where: short stacking energy: -594.513 Base-Backbone interact. energy: -1.926 local terms energy: -689.223346 where: bonds (distance) C4'-P energy: -118.637 bonds (distance) P-C4' energy: -134.262 flat angles C4'-P-C4' energy: -152.907 flat angles P-C4'-P energy: -92.138 tors. eta vs tors. theta energy: -191.279 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 256 Temperature: 1.050000 Total energy: -1868.015867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1868.015867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1868.015867 (E_RNA) where: Base-Base interactions energy: -1245.246 where: short stacking energy: -536.459 Base-Backbone interact. energy: -2.931 local terms energy: -619.838289 where: bonds (distance) C4'-P energy: -126.981 bonds (distance) P-C4' energy: -125.002 flat angles C4'-P-C4' energy: -131.381 flat angles P-C4'-P energy: -86.175 tors. eta vs tors. theta energy: -150.298 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: 8 ===================================== Write number: 256 Temperature: 1.100000 Total energy: -1830.527001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1830.527001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1830.527001 (E_RNA) where: Base-Base interactions energy: -1191.195 where: short stacking energy: -503.725 Base-Backbone interact. energy: 6.260 local terms energy: -645.592300 where: bonds (distance) C4'-P energy: -127.896 bonds (distance) P-C4' energy: -118.456 flat angles C4'-P-C4' energy: -142.118 flat angles P-C4'-P energy: -103.959 tors. eta vs tors. theta energy: -153.163 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: 256 Temperature: 1.150000 Total energy: -1597.875656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1597.875656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1597.875656 (E_RNA) where: Base-Base interactions energy: -1074.215 where: short stacking energy: -479.776 Base-Backbone interact. energy: 3.130 local terms energy: -526.790234 where: bonds (distance) C4'-P energy: -98.937 bonds (distance) P-C4' energy: -101.209 flat angles C4'-P-C4' energy: -126.404 flat angles P-C4'-P energy: -76.965 tors. eta vs tors. theta energy: -123.275 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 256 Temperature: 1.200000 Total energy: -1041.598568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1041.598568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1041.598568 (E_RNA) where: Base-Base interactions energy: -590.986 where: short stacking energy: -290.846 Base-Backbone interact. energy: -3.733 local terms energy: -446.880213 where: bonds (distance) C4'-P energy: -124.741 bonds (distance) P-C4' energy: -112.077 flat angles C4'-P-C4' energy: -95.217 flat angles P-C4'-P energy: -72.346 tors. eta vs tors. theta energy: -42.499 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 256 Temperature: 1.250000 Total energy: -834.382039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -834.382039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -834.382039 (E_RNA) where: Base-Base interactions energy: -447.663 where: short stacking energy: -221.551 Base-Backbone interact. energy: -0.859 local terms energy: -385.859846 where: bonds (distance) C4'-P energy: -119.119 bonds (distance) P-C4' energy: -105.874 flat angles C4'-P-C4' energy: -102.301 flat angles P-C4'-P energy: -42.541 tors. eta vs tors. theta energy: -16.024 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 256 Temperature: 1.300000 Total energy: -617.332415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -617.332415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -617.332415 (E_RNA) where: Base-Base interactions energy: -305.163 where: short stacking energy: -157.742 Base-Backbone interact. energy: 7.162 local terms energy: -319.331295 where: bonds (distance) C4'-P energy: -105.739 bonds (distance) P-C4' energy: -95.515 flat angles C4'-P-C4' energy: -82.838 flat angles P-C4'-P energy: -47.762 tors. eta vs tors. theta energy: 12.524 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: 4 ===================================== Write number: 256 Temperature: 1.350000 Total energy: -497.498398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -497.498398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -497.498398 (E_RNA) where: Base-Base interactions energy: -186.326 where: short stacking energy: -127.229 Base-Backbone interact. energy: 3.337 local terms energy: -314.509392 where: bonds (distance) C4'-P energy: -102.966 bonds (distance) P-C4' energy: -109.573 flat angles C4'-P-C4' energy: -97.014 flat angles P-C4'-P energy: -48.188 tors. eta vs tors. theta energy: 43.232 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 257 Temperature: 0.900000 Total energy: -2246.764554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2246.764554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2246.764554 (E_RNA) where: Base-Base interactions energy: -1519.572 where: short stacking energy: -641.940 Base-Backbone interact. energy: -2.305 local terms energy: -724.888196 where: bonds (distance) C4'-P energy: -123.280 bonds (distance) P-C4' energy: -145.794 flat angles C4'-P-C4' energy: -154.787 flat angles P-C4'-P energy: -92.835 tors. eta vs tors. theta energy: -208.191 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 257 Temperature: 0.950000 Total energy: -2150.643011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2150.643011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2150.643011 (E_RNA) where: Base-Base interactions energy: -1441.113 where: short stacking energy: -628.360 Base-Backbone interact. energy: -1.241 local terms energy: -708.289382 where: bonds (distance) C4'-P energy: -138.742 bonds (distance) P-C4' energy: -114.906 flat angles C4'-P-C4' energy: -151.399 flat angles P-C4'-P energy: -95.799 tors. eta vs tors. theta energy: -207.444 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 257 Temperature: 1.000000 Total energy: -2064.362922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2064.362922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2064.362922 (E_RNA) where: Base-Base interactions energy: -1399.850 where: short stacking energy: -610.701 Base-Backbone interact. energy: 0.034 local terms energy: -664.546854 where: bonds (distance) C4'-P energy: -118.209 bonds (distance) P-C4' energy: -118.618 flat angles C4'-P-C4' energy: -144.387 flat angles P-C4'-P energy: -90.194 tors. eta vs tors. theta energy: -193.139 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 257 Temperature: 1.050000 Total energy: -1931.094922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1931.094922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1931.094922 (E_RNA) where: Base-Base interactions energy: -1304.977 where: short stacking energy: -570.821 Base-Backbone interact. energy: 3.198 local terms energy: -629.316136 where: bonds (distance) C4'-P energy: -118.010 bonds (distance) P-C4' energy: -119.583 flat angles C4'-P-C4' energy: -138.516 flat angles P-C4'-P energy: -86.758 tors. eta vs tors. theta energy: -166.449 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 257 Temperature: 1.100000 Total energy: -1830.219671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1830.219671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1830.219671 (E_RNA) where: Base-Base interactions energy: -1214.228 where: short stacking energy: -521.723 Base-Backbone interact. energy: -0.320 local terms energy: -615.671755 where: bonds (distance) C4'-P energy: -112.178 bonds (distance) P-C4' energy: -140.535 flat angles C4'-P-C4' energy: -139.313 flat angles P-C4'-P energy: -77.354 tors. eta vs tors. theta energy: -146.293 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 257 Temperature: 1.150000 Total energy: -1663.133079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1663.133079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1663.133079 (E_RNA) where: Base-Base interactions energy: -1094.008 where: short stacking energy: -480.470 Base-Backbone interact. energy: -2.367 local terms energy: -566.758040 where: bonds (distance) C4'-P energy: -100.329 bonds (distance) P-C4' energy: -123.420 flat angles C4'-P-C4' energy: -127.390 flat angles P-C4'-P energy: -76.812 tors. eta vs tors. theta energy: -138.807 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 257 Temperature: 1.200000 Total energy: -1043.428948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1043.428948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1043.428948 (E_RNA) where: Base-Base interactions energy: -606.454 where: short stacking energy: -285.069 Base-Backbone interact. energy: 1.286 local terms energy: -438.260362 where: bonds (distance) C4'-P energy: -107.911 bonds (distance) P-C4' energy: -99.718 flat angles C4'-P-C4' energy: -114.447 flat angles P-C4'-P energy: -80.747 tors. eta vs tors. theta energy: -35.437 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: 1 ===================================== Write number: 257 Temperature: 1.250000 Total energy: -847.301234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -847.301234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -847.301234 (E_RNA) where: Base-Base interactions energy: -433.055 where: short stacking energy: -226.471 Base-Backbone interact. energy: 3.187 local terms energy: -417.433128 where: bonds (distance) C4'-P energy: -121.306 bonds (distance) P-C4' energy: -122.053 flat angles C4'-P-C4' energy: -106.043 flat angles P-C4'-P energy: -64.192 tors. eta vs tors. theta energy: -3.839 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: 9 ===================================== Write number: 257 Temperature: 1.300000 Total energy: -642.960323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -642.960323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -642.960323 (E_RNA) where: Base-Base interactions energy: -282.010 where: short stacking energy: -190.299 Base-Backbone interact. energy: -0.085 local terms energy: -360.865960 where: bonds (distance) C4'-P energy: -94.816 bonds (distance) P-C4' energy: -97.820 flat angles C4'-P-C4' energy: -109.121 flat angles P-C4'-P energy: -45.585 tors. eta vs tors. theta energy: -13.524 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: 4 ===================================== Write number: 257 Temperature: 1.350000 Total energy: -494.042849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -494.042849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -494.042849 (E_RNA) where: Base-Base interactions energy: -164.859 where: short stacking energy: -130.622 Base-Backbone interact. energy: 5.007 local terms energy: -334.189939 where: bonds (distance) C4'-P energy: -92.990 bonds (distance) P-C4' energy: -128.317 flat angles C4'-P-C4' energy: -93.816 flat angles P-C4'-P energy: -47.472 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: 1, replica: 2 ===================================== Write number: 258 Temperature: 0.900000 Total energy: -2248.204651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2248.204651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2248.204651 (E_RNA) where: Base-Base interactions energy: -1516.562 where: short stacking energy: -628.237 Base-Backbone interact. energy: -0.429 local terms energy: -731.213514 where: bonds (distance) C4'-P energy: -136.844 bonds (distance) P-C4' energy: -146.323 flat angles C4'-P-C4' energy: -143.743 flat angles P-C4'-P energy: -99.980 tors. eta vs tors. theta energy: -204.324 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 258 Temperature: 0.950000 Total energy: -2164.949545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2164.949545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2164.949545 (E_RNA) where: Base-Base interactions energy: -1444.968 where: short stacking energy: -602.529 Base-Backbone interact. energy: -2.280 local terms energy: -717.701633 where: bonds (distance) C4'-P energy: -130.099 bonds (distance) P-C4' energy: -130.151 flat angles C4'-P-C4' energy: -160.612 flat angles P-C4'-P energy: -92.791 tors. eta vs tors. theta energy: -204.049 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 258 Temperature: 1.000000 Total energy: -2067.329250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2067.329250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2067.329250 (E_RNA) where: Base-Base interactions energy: -1402.980 where: short stacking energy: -574.655 Base-Backbone interact. energy: 0.821 local terms energy: -665.169737 where: bonds (distance) C4'-P energy: -131.373 bonds (distance) P-C4' energy: -119.407 flat angles C4'-P-C4' energy: -144.628 flat angles P-C4'-P energy: -87.910 tors. eta vs tors. theta energy: -181.852 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 258 Temperature: 1.050000 Total energy: -1856.293566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1856.293566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1856.293566 (E_RNA) where: Base-Base interactions energy: -1228.335 where: short stacking energy: -527.381 Base-Backbone interact. energy: -3.483 local terms energy: -624.475592 where: bonds (distance) C4'-P energy: -122.906 bonds (distance) P-C4' energy: -131.889 flat angles C4'-P-C4' energy: -123.633 flat angles P-C4'-P energy: -82.408 tors. eta vs tors. theta energy: -163.639 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 258 Temperature: 1.100000 Total energy: -1823.747853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1823.747853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1823.747853 (E_RNA) where: Base-Base interactions energy: -1206.041 where: short stacking energy: -502.466 Base-Backbone interact. energy: -3.672 local terms energy: -614.034662 where: bonds (distance) C4'-P energy: -120.004 bonds (distance) P-C4' energy: -128.621 flat angles C4'-P-C4' energy: -126.705 flat angles P-C4'-P energy: -84.991 tors. eta vs tors. theta energy: -153.714 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 258 Temperature: 1.150000 Total energy: -1601.102696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1601.102696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1601.102696 (E_RNA) where: Base-Base interactions energy: -1029.684 where: short stacking energy: -462.262 Base-Backbone interact. energy: -2.475 local terms energy: -568.943416 where: bonds (distance) C4'-P energy: -116.300 bonds (distance) P-C4' energy: -119.195 flat angles C4'-P-C4' energy: -118.822 flat angles P-C4'-P energy: -75.524 tors. eta vs tors. theta energy: -139.103 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: 3 ===================================== Write number: 258 Temperature: 1.200000 Total energy: -1049.959859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1049.959859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1049.959859 (E_RNA) where: Base-Base interactions energy: -584.275 where: short stacking energy: -268.906 Base-Backbone interact. energy: 0.748 local terms energy: -466.432834 where: bonds (distance) C4'-P energy: -123.927 bonds (distance) P-C4' energy: -113.680 flat angles C4'-P-C4' energy: -119.928 flat angles P-C4'-P energy: -76.071 tors. eta vs tors. theta energy: -32.827 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 258 Temperature: 1.250000 Total energy: -847.853851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -847.853851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -847.853851 (E_RNA) where: Base-Base interactions energy: -426.651 where: short stacking energy: -230.668 Base-Backbone interact. energy: -3.935 local terms energy: -417.268058 where: bonds (distance) C4'-P energy: -123.384 bonds (distance) P-C4' energy: -114.261 flat angles C4'-P-C4' energy: -107.771 flat angles P-C4'-P energy: -54.834 tors. eta vs tors. theta energy: -17.018 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: 9 ===================================== Write number: 258 Temperature: 1.300000 Total energy: -615.336647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -615.336647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -615.336647 (E_RNA) where: Base-Base interactions energy: -259.139 where: short stacking energy: -170.804 Base-Backbone interact. energy: -0.658 local terms energy: -355.539295 where: bonds (distance) C4'-P energy: -115.779 bonds (distance) P-C4' energy: -97.544 flat angles C4'-P-C4' energy: -89.350 flat angles P-C4'-P energy: -63.285 tors. eta vs tors. theta energy: 10.419 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: 258 Temperature: 1.350000 Total energy: -488.389777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -488.389777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -488.389777 (E_RNA) where: Base-Base interactions energy: -184.011 where: short stacking energy: -136.672 Base-Backbone interact. energy: -0.898 local terms energy: -303.480344 where: bonds (distance) C4'-P energy: -101.047 bonds (distance) P-C4' energy: -99.695 flat angles C4'-P-C4' energy: -85.923 flat angles P-C4'-P energy: -47.460 tors. eta vs tors. theta energy: 30.643 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 259 Temperature: 0.900000 Total energy: -2299.889046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2299.889046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2299.889046 (E_RNA) where: Base-Base interactions energy: -1550.986 where: short stacking energy: -663.150 Base-Backbone interact. energy: -2.391 local terms energy: -746.511361 where: bonds (distance) C4'-P energy: -139.689 bonds (distance) P-C4' energy: -131.734 flat angles C4'-P-C4' energy: -164.550 flat angles P-C4'-P energy: -96.906 tors. eta vs tors. theta energy: -213.633 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: 7 ===================================== Write number: 259 Temperature: 0.950000 Total energy: -2145.247834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2145.247834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2145.247834 (E_RNA) where: Base-Base interactions energy: -1438.187 where: short stacking energy: -611.300 Base-Backbone interact. energy: 1.314 local terms energy: -708.375247 where: bonds (distance) C4'-P energy: -131.281 bonds (distance) P-C4' energy: -131.030 flat angles C4'-P-C4' energy: -146.506 flat angles P-C4'-P energy: -98.931 tors. eta vs tors. theta energy: -200.627 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 259 Temperature: 1.000000 Total energy: -2025.343551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2025.343551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2025.343551 (E_RNA) where: Base-Base interactions energy: -1385.049 where: short stacking energy: -579.995 Base-Backbone interact. energy: -2.817 local terms energy: -637.477787 where: bonds (distance) C4'-P energy: -108.289 bonds (distance) P-C4' energy: -109.891 flat angles C4'-P-C4' energy: -144.005 flat angles P-C4'-P energy: -100.530 tors. eta vs tors. theta energy: -174.762 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: 10 ===================================== Write number: 259 Temperature: 1.050000 Total energy: -1920.935683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1920.935683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1920.935683 (E_RNA) where: Base-Base interactions energy: -1272.411 where: short stacking energy: -536.432 Base-Backbone interact. energy: -3.534 local terms energy: -644.990425 where: bonds (distance) C4'-P energy: -117.933 bonds (distance) P-C4' energy: -122.550 flat angles C4'-P-C4' energy: -145.800 flat angles P-C4'-P energy: -99.868 tors. eta vs tors. theta energy: -158.839 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: 8 ===================================== Write number: 259 Temperature: 1.100000 Total energy: -1796.590085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1796.590085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1796.590085 (E_RNA) where: Base-Base interactions energy: -1203.508 where: short stacking energy: -499.154 Base-Backbone interact. energy: -3.241 local terms energy: -589.840607 where: bonds (distance) C4'-P energy: -106.450 bonds (distance) P-C4' energy: -110.111 flat angles C4'-P-C4' energy: -127.420 flat angles P-C4'-P energy: -101.478 tors. eta vs tors. theta energy: -144.381 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 259 Temperature: 1.150000 Total energy: -1594.672345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1594.672345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1594.672345 (E_RNA) where: Base-Base interactions energy: -1063.466 where: short stacking energy: -478.405 Base-Backbone interact. energy: 0.297 local terms energy: -531.503378 where: bonds (distance) C4'-P energy: -103.371 bonds (distance) P-C4' energy: -116.207 flat angles C4'-P-C4' energy: -115.344 flat angles P-C4'-P energy: -65.889 tors. eta vs tors. theta energy: -130.692 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 259 Temperature: 1.200000 Total energy: -1100.022886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1100.022886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1100.022886 (E_RNA) where: Base-Base interactions energy: -637.509 where: short stacking energy: -305.612 Base-Backbone interact. energy: 0.305 local terms energy: -462.818565 where: bonds (distance) C4'-P energy: -104.619 bonds (distance) P-C4' energy: -102.870 flat angles C4'-P-C4' energy: -114.692 flat angles P-C4'-P energy: -83.456 tors. eta vs tors. theta energy: -57.181 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 259 Temperature: 1.250000 Total energy: -887.507665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -887.507665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -887.507665 (E_RNA) where: Base-Base interactions energy: -455.247 where: short stacking energy: -227.050 Base-Backbone interact. energy: -4.917 local terms energy: -427.343766 where: bonds (distance) C4'-P energy: -107.325 bonds (distance) P-C4' energy: -136.300 flat angles C4'-P-C4' energy: -97.072 flat angles P-C4'-P energy: -76.838 tors. eta vs tors. theta energy: -9.809 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 259 Temperature: 1.300000 Total energy: -717.224385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -717.224385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -717.224385 (E_RNA) where: Base-Base interactions energy: -359.770 where: short stacking energy: -179.850 Base-Backbone interact. energy: -4.278 local terms energy: -353.176549 where: bonds (distance) C4'-P energy: -94.142 bonds (distance) P-C4' energy: -122.189 flat angles C4'-P-C4' energy: -103.558 flat angles P-C4'-P energy: -49.074 tors. eta vs tors. theta energy: 15.786 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: 4 ===================================== Write number: 259 Temperature: 1.350000 Total energy: -499.150182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -499.150182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -499.150182 (E_RNA) where: Base-Base interactions energy: -177.343 where: short stacking energy: -129.012 Base-Backbone interact. energy: 7.533 local terms energy: -329.340637 where: bonds (distance) C4'-P energy: -101.172 bonds (distance) P-C4' energy: -109.602 flat angles C4'-P-C4' energy: -94.436 flat angles P-C4'-P energy: -54.605 tors. eta vs tors. theta energy: 30.474 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 260 Temperature: 0.900000 Total energy: -2277.601078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2277.601078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2277.601078 (E_RNA) where: Base-Base interactions energy: -1551.748 where: short stacking energy: -649.801 Base-Backbone interact. energy: -2.339 local terms energy: -723.513921 where: bonds (distance) C4'-P energy: -129.159 bonds (distance) P-C4' energy: -145.092 flat angles C4'-P-C4' energy: -145.222 flat angles P-C4'-P energy: -97.248 tors. eta vs tors. theta energy: -206.794 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 260 Temperature: 0.950000 Total energy: -2148.913564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2148.913564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2148.913564 (E_RNA) where: Base-Base interactions energy: -1467.433 where: short stacking energy: -623.128 Base-Backbone interact. energy: -0.674 local terms energy: -680.806733 where: bonds (distance) C4'-P energy: -107.093 bonds (distance) P-C4' energy: -130.837 flat angles C4'-P-C4' energy: -153.031 flat angles P-C4'-P energy: -98.048 tors. eta vs tors. theta energy: -191.798 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 260 Temperature: 1.000000 Total energy: -2037.620318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2037.620318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2037.620318 (E_RNA) where: Base-Base interactions energy: -1359.440 where: short stacking energy: -578.345 Base-Backbone interact. energy: -3.787 local terms energy: -674.393329 where: bonds (distance) C4'-P energy: -119.296 bonds (distance) P-C4' energy: -131.834 flat angles C4'-P-C4' energy: -147.694 flat angles P-C4'-P energy: -92.934 tors. eta vs tors. theta energy: -182.635 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 260 Temperature: 1.050000 Total energy: -1990.737462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1990.737462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1990.737462 (E_RNA) where: Base-Base interactions energy: -1328.962 where: short stacking energy: -540.048 Base-Backbone interact. energy: -2.248 local terms energy: -659.527604 where: bonds (distance) C4'-P energy: -112.214 bonds (distance) P-C4' energy: -141.749 flat angles C4'-P-C4' energy: -133.030 flat angles P-C4'-P energy: -100.032 tors. eta vs tors. theta energy: -172.502 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: 8 ===================================== Write number: 260 Temperature: 1.100000 Total energy: -1799.859683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1799.859683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1799.859683 (E_RNA) where: Base-Base interactions energy: -1196.774 where: short stacking energy: -510.817 Base-Backbone interact. energy: -1.545 local terms energy: -601.541056 where: bonds (distance) C4'-P energy: -123.542 bonds (distance) P-C4' energy: -109.833 flat angles C4'-P-C4' energy: -126.650 flat angles P-C4'-P energy: -92.429 tors. eta vs tors. theta energy: -149.088 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: 6 ===================================== Write number: 260 Temperature: 1.150000 Total energy: -1622.278793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1622.278793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1622.278793 (E_RNA) where: Base-Base interactions energy: -1051.970 where: short stacking energy: -446.665 Base-Backbone interact. energy: 2.476 local terms energy: -572.785242 where: bonds (distance) C4'-P energy: -116.655 bonds (distance) P-C4' energy: -122.575 flat angles C4'-P-C4' energy: -126.758 flat angles P-C4'-P energy: -83.974 tors. eta vs tors. theta energy: -122.823 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: 3 ===================================== Write number: 260 Temperature: 1.200000 Total energy: -1105.347357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1105.347357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1105.347357 (E_RNA) where: Base-Base interactions energy: -616.330 where: short stacking energy: -291.665 Base-Backbone interact. energy: 5.794 local terms energy: -494.811700 where: bonds (distance) C4'-P energy: -112.795 bonds (distance) P-C4' energy: -133.750 flat angles C4'-P-C4' energy: -117.578 flat angles P-C4'-P energy: -77.774 tors. eta vs tors. theta energy: -52.915 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 260 Temperature: 1.250000 Total energy: -856.680402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -856.680402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -856.680402 (E_RNA) where: Base-Base interactions energy: -439.414 where: short stacking energy: -222.692 Base-Backbone interact. energy: -5.017 local terms energy: -412.248755 where: bonds (distance) C4'-P energy: -105.187 bonds (distance) P-C4' energy: -123.578 flat angles C4'-P-C4' energy: -92.530 flat angles P-C4'-P energy: -57.625 tors. eta vs tors. theta energy: -33.328 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 260 Temperature: 1.300000 Total energy: -889.644789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -889.644789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -889.644789 (E_RNA) where: Base-Base interactions energy: -472.486 where: short stacking energy: -256.136 Base-Backbone interact. energy: 0.531 local terms energy: -417.689812 where: bonds (distance) C4'-P energy: -100.813 bonds (distance) P-C4' energy: -121.434 flat angles C4'-P-C4' energy: -101.782 flat angles P-C4'-P energy: -62.288 tors. eta vs tors. theta energy: -31.373 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 260 Temperature: 1.350000 Total energy: -484.749607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -484.749607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -484.749607 (E_RNA) where: Base-Base interactions energy: -151.589 where: short stacking energy: -138.436 Base-Backbone interact. energy: 2.847 local terms energy: -336.007509 where: bonds (distance) C4'-P energy: -100.807 bonds (distance) P-C4' energy: -128.989 flat angles C4'-P-C4' energy: -66.991 flat angles P-C4'-P energy: -62.053 tors. eta vs tors. theta energy: 22.833 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 261 Temperature: 0.900000 Total energy: -2301.406447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2301.406447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2301.406447 (E_RNA) where: Base-Base interactions energy: -1577.533 where: short stacking energy: -638.025 Base-Backbone interact. energy: -1.874 local terms energy: -721.999572 where: bonds (distance) C4'-P energy: -128.810 bonds (distance) P-C4' energy: -148.465 flat angles C4'-P-C4' energy: -157.122 flat angles P-C4'-P energy: -78.560 tors. eta vs tors. theta energy: -209.042 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 261 Temperature: 0.950000 Total energy: -2126.791862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2126.791862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2126.791862 (E_RNA) where: Base-Base interactions energy: -1447.505 where: short stacking energy: -593.677 Base-Backbone interact. energy: -2.440 local terms energy: -676.846986 where: bonds (distance) C4'-P energy: -127.527 bonds (distance) P-C4' energy: -133.732 flat angles C4'-P-C4' energy: -141.160 flat angles P-C4'-P energy: -89.548 tors. eta vs tors. theta energy: -184.880 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 261 Temperature: 1.000000 Total energy: -2024.809584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2024.809584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2024.809584 (E_RNA) where: Base-Base interactions energy: -1361.489 where: short stacking energy: -551.514 Base-Backbone interact. energy: -2.821 local terms energy: -660.499341 where: bonds (distance) C4'-P energy: -130.297 bonds (distance) P-C4' energy: -108.755 flat angles C4'-P-C4' energy: -143.227 flat angles P-C4'-P energy: -103.788 tors. eta vs tors. theta energy: -174.432 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: 10 ===================================== Write number: 261 Temperature: 1.050000 Total energy: -1931.776210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1931.776210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1931.776210 (E_RNA) where: Base-Base interactions energy: -1289.525 where: short stacking energy: -536.067 Base-Backbone interact. energy: -3.363 local terms energy: -638.888443 where: bonds (distance) C4'-P energy: -118.053 bonds (distance) P-C4' energy: -137.075 flat angles C4'-P-C4' energy: -136.178 flat angles P-C4'-P energy: -84.550 tors. eta vs tors. theta energy: -163.033 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 261 Temperature: 1.100000 Total energy: -1783.425622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1783.425622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1783.425622 (E_RNA) where: Base-Base interactions energy: -1180.211 where: short stacking energy: -483.582 Base-Backbone interact. energy: -2.191 local terms energy: -601.023695 where: bonds (distance) C4'-P energy: -123.580 bonds (distance) P-C4' energy: -122.057 flat angles C4'-P-C4' energy: -133.687 flat angles P-C4'-P energy: -83.660 tors. eta vs tors. theta energy: -138.039 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 261 Temperature: 1.150000 Total energy: -1536.899499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1536.899499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1536.899499 (E_RNA) where: Base-Base interactions energy: -1017.329 where: short stacking energy: -442.099 Base-Backbone interact. energy: 1.197 local terms energy: -520.768186 where: bonds (distance) C4'-P energy: -108.168 bonds (distance) P-C4' energy: -108.153 flat angles C4'-P-C4' energy: -108.846 flat angles P-C4'-P energy: -75.539 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: 7, replica: 3 ===================================== Write number: 261 Temperature: 1.200000 Total energy: -1034.206890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1034.206890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1034.206890 (E_RNA) where: Base-Base interactions energy: -577.575 where: short stacking energy: -285.200 Base-Backbone interact. energy: 3.618 local terms energy: -460.250386 where: bonds (distance) C4'-P energy: -123.456 bonds (distance) P-C4' energy: -125.734 flat angles C4'-P-C4' energy: -101.002 flat angles P-C4'-P energy: -76.751 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: 8, replica: 1 ===================================== Write number: 261 Temperature: 1.250000 Total energy: -887.012103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -887.012103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -887.012103 (E_RNA) where: Base-Base interactions energy: -491.736 where: short stacking energy: -281.540 Base-Backbone interact. energy: -2.903 local terms energy: -392.373503 where: bonds (distance) C4'-P energy: -118.924 bonds (distance) P-C4' energy: -111.269 flat angles C4'-P-C4' energy: -86.892 flat angles P-C4'-P energy: -53.225 tors. eta vs tors. theta energy: -22.063 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: 9 ===================================== Write number: 261 Temperature: 1.300000 Total energy: -741.080986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -741.080986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -741.080986 (E_RNA) where: Base-Base interactions energy: -346.022 where: short stacking energy: -201.193 Base-Backbone interact. energy: 4.141 local terms energy: -399.200508 where: bonds (distance) C4'-P energy: -105.308 bonds (distance) P-C4' energy: -120.866 flat angles C4'-P-C4' energy: -104.320 flat angles P-C4'-P energy: -60.040 tors. eta vs tors. theta energy: -8.665 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 261 Temperature: 1.350000 Total energy: -498.039225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -498.039225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -498.039225 (E_RNA) where: Base-Base interactions energy: -154.047 where: short stacking energy: -129.158 Base-Backbone interact. energy: 1.904 local terms energy: -345.896104 where: bonds (distance) C4'-P energy: -100.352 bonds (distance) P-C4' energy: -106.220 flat angles C4'-P-C4' energy: -89.413 flat angles P-C4'-P energy: -70.805 tors. eta vs tors. theta energy: 20.894 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: 2 ===================================== Write number: 262 Temperature: 0.900000 Total energy: -2295.148754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2295.148754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2295.148754 (E_RNA) where: Base-Base interactions energy: -1554.067 where: short stacking energy: -640.738 Base-Backbone interact. energy: -1.841 local terms energy: -739.240661 where: bonds (distance) C4'-P energy: -133.978 bonds (distance) P-C4' energy: -132.421 flat angles C4'-P-C4' energy: -158.125 flat angles P-C4'-P energy: -105.629 tors. eta vs tors. theta energy: -209.087 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 262 Temperature: 0.950000 Total energy: -2152.202902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2152.202902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2152.202902 (E_RNA) where: Base-Base interactions energy: -1437.763 where: short stacking energy: -630.490 Base-Backbone interact. energy: -3.449 local terms energy: -710.991184 where: bonds (distance) C4'-P energy: -122.813 bonds (distance) P-C4' energy: -139.713 flat angles C4'-P-C4' energy: -157.253 flat angles P-C4'-P energy: -86.478 tors. eta vs tors. theta energy: -204.733 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 262 Temperature: 1.000000 Total energy: -2030.984151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2030.984151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2030.984151 (E_RNA) where: Base-Base interactions energy: -1339.863 where: short stacking energy: -598.422 Base-Backbone interact. energy: -2.196 local terms energy: -688.925046 where: bonds (distance) C4'-P energy: -125.484 bonds (distance) P-C4' energy: -139.158 flat angles C4'-P-C4' energy: -148.395 flat angles P-C4'-P energy: -88.553 tors. eta vs tors. theta energy: -187.334 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: 10 ===================================== Write number: 262 Temperature: 1.050000 Total energy: -1944.804882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1944.804882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1944.804882 (E_RNA) where: Base-Base interactions energy: -1316.216 where: short stacking energy: -580.917 Base-Backbone interact. energy: -2.965 local terms energy: -625.624549 where: bonds (distance) C4'-P energy: -122.716 bonds (distance) P-C4' energy: -128.559 flat angles C4'-P-C4' energy: -129.025 flat angles P-C4'-P energy: -83.554 tors. eta vs tors. theta energy: -161.771 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: 5, replica: 8 ===================================== Write number: 262 Temperature: 1.100000 Total energy: -1770.769371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1770.769371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1770.769371 (E_RNA) where: Base-Base interactions energy: -1169.469 where: short stacking energy: -494.090 Base-Backbone interact. energy: 0.985 local terms energy: -602.284898 where: bonds (distance) C4'-P energy: -114.058 bonds (distance) P-C4' energy: -139.294 flat angles C4'-P-C4' energy: -130.915 flat angles P-C4'-P energy: -72.399 tors. eta vs tors. theta energy: -145.619 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 262 Temperature: 1.150000 Total energy: -1513.476630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1513.476630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1513.476630 (E_RNA) where: Base-Base interactions energy: -973.523 where: short stacking energy: -423.148 Base-Backbone interact. energy: -3.867 local terms energy: -536.087255 where: bonds (distance) C4'-P energy: -105.950 bonds (distance) P-C4' energy: -106.749 flat angles C4'-P-C4' energy: -143.711 flat angles P-C4'-P energy: -69.468 tors. eta vs tors. theta energy: -110.209 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 262 Temperature: 1.200000 Total energy: -1028.942517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1028.942517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1028.942517 (E_RNA) where: Base-Base interactions energy: -575.495 where: short stacking energy: -270.906 Base-Backbone interact. energy: -0.616 local terms energy: -452.831542 where: bonds (distance) C4'-P energy: -114.118 bonds (distance) P-C4' energy: -116.739 flat angles C4'-P-C4' energy: -104.496 flat angles P-C4'-P energy: -75.867 tors. eta vs tors. theta energy: -41.612 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 262 Temperature: 1.250000 Total energy: -922.131369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -922.131369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -922.131369 (E_RNA) where: Base-Base interactions energy: -488.380 where: short stacking energy: -257.824 Base-Backbone interact. energy: 2.088 local terms energy: -435.839435 where: bonds (distance) C4'-P energy: -117.969 bonds (distance) P-C4' energy: -106.845 flat angles C4'-P-C4' energy: -107.934 flat angles P-C4'-P energy: -58.787 tors. eta vs tors. theta energy: -44.304 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: 9, replica: 9 ===================================== Write number: 262 Temperature: 1.300000 Total energy: -703.518006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -703.518006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -703.518006 (E_RNA) where: Base-Base interactions energy: -312.944 where: short stacking energy: -177.692 Base-Backbone interact. energy: -3.102 local terms energy: -387.471799 where: bonds (distance) C4'-P energy: -110.106 bonds (distance) P-C4' energy: -124.029 flat angles C4'-P-C4' energy: -108.793 flat angles P-C4'-P energy: -58.495 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: 4 ===================================== Write number: 262 Temperature: 1.350000 Total energy: -488.670315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -488.670315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -488.670315 (E_RNA) where: Base-Base interactions energy: -184.540 where: short stacking energy: -135.500 Base-Backbone interact. energy: 5.045 local terms energy: -309.175093 where: bonds (distance) C4'-P energy: -91.292 bonds (distance) P-C4' energy: -124.032 flat angles C4'-P-C4' energy: -73.638 flat angles P-C4'-P energy: -53.490 tors. eta vs tors. theta energy: 33.277 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 263 Temperature: 0.900000 Total energy: -2286.144506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2286.144506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2286.144506 (E_RNA) where: Base-Base interactions energy: -1564.528 where: short stacking energy: -624.649 Base-Backbone interact. energy: -2.411 local terms energy: -719.205450 where: bonds (distance) C4'-P energy: -124.253 bonds (distance) P-C4' energy: -145.720 flat angles C4'-P-C4' energy: -144.502 flat angles P-C4'-P energy: -93.763 tors. eta vs tors. theta energy: -210.968 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: 7 ===================================== Write number: 263 Temperature: 0.950000 Total energy: -2129.839444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2129.839444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2129.839444 (E_RNA) where: Base-Base interactions energy: -1428.567 where: short stacking energy: -600.550 Base-Backbone interact. energy: -2.970 local terms energy: -698.302704 where: bonds (distance) C4'-P energy: -130.960 bonds (distance) P-C4' energy: -138.489 flat angles C4'-P-C4' energy: -150.398 flat angles P-C4'-P energy: -91.681 tors. eta vs tors. theta energy: -186.775 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: 5 ===================================== Write number: 263 Temperature: 1.000000 Total energy: -2049.810669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2049.810669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2049.810669 (E_RNA) where: Base-Base interactions energy: -1376.148 where: short stacking energy: -604.811 Base-Backbone interact. energy: -0.674 local terms energy: -672.988202 where: bonds (distance) C4'-P energy: -115.970 bonds (distance) P-C4' energy: -137.212 flat angles C4'-P-C4' energy: -150.244 flat angles P-C4'-P energy: -87.023 tors. eta vs tors. theta energy: -182.539 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 263 Temperature: 1.050000 Total energy: -1999.172582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1999.172582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1999.172582 (E_RNA) where: Base-Base interactions energy: -1369.511 where: short stacking energy: -552.469 Base-Backbone interact. energy: 5.959 local terms energy: -635.620193 where: bonds (distance) C4'-P energy: -122.148 bonds (distance) P-C4' energy: -127.817 flat angles C4'-P-C4' energy: -115.008 flat angles P-C4'-P energy: -88.283 tors. eta vs tors. theta energy: -182.364 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: 263 Temperature: 1.100000 Total energy: -1837.851651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1837.851651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1837.851651 (E_RNA) where: Base-Base interactions energy: -1237.281 where: short stacking energy: -535.380 Base-Backbone interact. energy: 0.803 local terms energy: -601.373282 where: bonds (distance) C4'-P energy: -92.406 bonds (distance) P-C4' energy: -131.303 flat angles C4'-P-C4' energy: -130.468 flat angles P-C4'-P energy: -87.812 tors. eta vs tors. theta energy: -159.385 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: 6 ===================================== Write number: 263 Temperature: 1.150000 Total energy: -1563.845893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1563.845893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1563.845893 (E_RNA) where: Base-Base interactions energy: -1040.176 where: short stacking energy: -435.863 Base-Backbone interact. energy: -1.582 local terms energy: -522.087959 where: bonds (distance) C4'-P energy: -107.391 bonds (distance) P-C4' energy: -132.604 flat angles C4'-P-C4' energy: -100.505 flat angles P-C4'-P energy: -67.445 tors. eta vs tors. theta energy: -114.143 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: 3 ===================================== Write number: 263 Temperature: 1.200000 Total energy: -1043.020209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1043.020209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1043.020209 (E_RNA) where: Base-Base interactions energy: -617.978 where: short stacking energy: -297.754 Base-Backbone interact. energy: -4.349 local terms energy: -420.692827 where: bonds (distance) C4'-P energy: -103.808 bonds (distance) P-C4' energy: -119.711 flat angles C4'-P-C4' energy: -118.739 flat angles P-C4'-P energy: -57.336 tors. eta vs tors. theta energy: -21.100 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: 1 ===================================== Write number: 263 Temperature: 1.250000 Total energy: -876.062673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -876.062673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -876.062673 (E_RNA) where: Base-Base interactions energy: -452.718 where: short stacking energy: -233.072 Base-Backbone interact. energy: 2.702 local terms energy: -426.046920 where: bonds (distance) C4'-P energy: -111.756 bonds (distance) P-C4' energy: -118.661 flat angles C4'-P-C4' energy: -99.718 flat angles P-C4'-P energy: -64.445 tors. eta vs tors. theta energy: -31.466 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: 9 ===================================== Write number: 263 Temperature: 1.300000 Total energy: -698.173377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -698.173377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -698.173377 (E_RNA) where: Base-Base interactions energy: -318.463 where: short stacking energy: -176.393 Base-Backbone interact. energy: -1.001 local terms energy: -378.709285 where: bonds (distance) C4'-P energy: -107.669 bonds (distance) P-C4' energy: -124.332 flat angles C4'-P-C4' energy: -91.969 flat angles P-C4'-P energy: -61.116 tors. eta vs tors. theta energy: 6.376 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 263 Temperature: 1.350000 Total energy: -479.842330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -479.842330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -479.842330 (E_RNA) where: Base-Base interactions energy: -159.352 where: short stacking energy: -105.589 Base-Backbone interact. energy: 4.580 local terms energy: -325.069908 where: bonds (distance) C4'-P energy: -100.485 bonds (distance) P-C4' energy: -116.866 flat angles C4'-P-C4' energy: -85.534 flat angles P-C4'-P energy: -57.237 tors. eta vs tors. theta energy: 35.052 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 264 Temperature: 0.900000 Total energy: -2266.976168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2266.976168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2266.976168 (E_RNA) where: Base-Base interactions energy: -1554.886 where: short stacking energy: -639.701 Base-Backbone interact. energy: -2.133 local terms energy: -709.956775 where: bonds (distance) C4'-P energy: -127.665 bonds (distance) P-C4' energy: -137.071 flat angles C4'-P-C4' energy: -146.488 flat angles P-C4'-P energy: -96.819 tors. eta vs tors. theta energy: -201.913 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 264 Temperature: 0.950000 Total energy: -2152.319147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2152.319147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2152.319147 (E_RNA) where: Base-Base interactions energy: -1453.329 where: short stacking energy: -608.505 Base-Backbone interact. energy: -3.502 local terms energy: -695.488252 where: bonds (distance) C4'-P energy: -116.409 bonds (distance) P-C4' energy: -150.229 flat angles C4'-P-C4' energy: -151.027 flat angles P-C4'-P energy: -83.057 tors. eta vs tors. theta energy: -194.766 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 264 Temperature: 1.000000 Total energy: -2100.548145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2100.548145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2100.548145 (E_RNA) where: Base-Base interactions energy: -1446.411 where: short stacking energy: -607.318 Base-Backbone interact. energy: -2.491 local terms energy: -651.646802 where: bonds (distance) C4'-P energy: -109.596 bonds (distance) P-C4' energy: -136.540 flat angles C4'-P-C4' energy: -131.491 flat angles P-C4'-P energy: -92.595 tors. eta vs tors. theta energy: -181.424 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: 10 ===================================== Write number: 264 Temperature: 1.050000 Total energy: -1971.351314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1971.351314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1971.351314 (E_RNA) where: Base-Base interactions energy: -1371.944 where: short stacking energy: -551.417 Base-Backbone interact. energy: -0.815 local terms energy: -598.591555 where: bonds (distance) C4'-P energy: -98.514 bonds (distance) P-C4' energy: -131.346 flat angles C4'-P-C4' energy: -118.602 flat angles P-C4'-P energy: -78.645 tors. eta vs tors. theta energy: -171.485 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 264 Temperature: 1.100000 Total energy: -1801.062324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1801.062324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1801.062324 (E_RNA) where: Base-Base interactions energy: -1233.345 where: short stacking energy: -493.931 Base-Backbone interact. energy: -0.047 local terms energy: -567.670252 where: bonds (distance) C4'-P energy: -106.064 bonds (distance) P-C4' energy: -119.797 flat angles C4'-P-C4' energy: -127.856 flat angles P-C4'-P energy: -68.250 tors. eta vs tors. theta energy: -145.703 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 264 Temperature: 1.150000 Total energy: -1611.423707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1611.423707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1611.423707 (E_RNA) where: Base-Base interactions energy: -1065.496 where: short stacking energy: -462.908 Base-Backbone interact. energy: 0.690 local terms energy: -546.618372 where: bonds (distance) C4'-P energy: -106.396 bonds (distance) P-C4' energy: -108.476 flat angles C4'-P-C4' energy: -130.549 flat angles P-C4'-P energy: -63.155 tors. eta vs tors. theta energy: -138.042 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: 3 ===================================== Write number: 264 Temperature: 1.200000 Total energy: -965.512526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -965.512526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -965.512526 (E_RNA) where: Base-Base interactions energy: -528.349 where: short stacking energy: -262.560 Base-Backbone interact. energy: 6.540 local terms energy: -443.704023 where: bonds (distance) C4'-P energy: -106.037 bonds (distance) P-C4' energy: -135.034 flat angles C4'-P-C4' energy: -103.495 flat angles P-C4'-P energy: -65.512 tors. eta vs tors. theta energy: -33.626 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 264 Temperature: 1.250000 Total energy: -878.018837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -878.018837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -878.018837 (E_RNA) where: Base-Base interactions energy: -489.838 where: short stacking energy: -229.798 Base-Backbone interact. energy: -1.935 local terms energy: -386.244911 where: bonds (distance) C4'-P energy: -126.840 bonds (distance) P-C4' energy: -106.462 flat angles C4'-P-C4' energy: -84.439 flat angles P-C4'-P energy: -57.955 tors. eta vs tors. theta energy: -10.549 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 264 Temperature: 1.300000 Total energy: -660.978957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -660.978957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -660.978957 (E_RNA) where: Base-Base interactions energy: -304.036 where: short stacking energy: -184.036 Base-Backbone interact. energy: 4.817 local terms energy: -361.759772 where: bonds (distance) C4'-P energy: -100.921 bonds (distance) P-C4' energy: -111.553 flat angles C4'-P-C4' energy: -94.019 flat angles P-C4'-P energy: -61.431 tors. eta vs tors. theta energy: 6.165 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 264 Temperature: 1.350000 Total energy: -504.028727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -504.028727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -504.028727 (E_RNA) where: Base-Base interactions energy: -180.922 where: short stacking energy: -153.685 Base-Backbone interact. energy: 0.983 local terms energy: -324.089987 where: bonds (distance) C4'-P energy: -83.654 bonds (distance) P-C4' energy: -116.977 flat angles C4'-P-C4' energy: -84.511 flat angles P-C4'-P energy: -56.526 tors. eta vs tors. theta energy: 17.578 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 265 Temperature: 0.900000 Total energy: -2272.244546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2272.244546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2272.244546 (E_RNA) where: Base-Base interactions energy: -1569.034 where: short stacking energy: -638.394 Base-Backbone interact. energy: -2.026 local terms energy: -701.185028 where: bonds (distance) C4'-P energy: -123.872 bonds (distance) P-C4' energy: -133.396 flat angles C4'-P-C4' energy: -140.573 flat angles P-C4'-P energy: -95.803 tors. eta vs tors. theta energy: -207.541 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 265 Temperature: 0.950000 Total energy: -2150.199739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2150.199739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2150.199739 (E_RNA) where: Base-Base interactions energy: -1459.986 where: short stacking energy: -624.228 Base-Backbone interact. energy: -3.567 local terms energy: -686.646530 where: bonds (distance) C4'-P energy: -125.823 bonds (distance) P-C4' energy: -126.852 flat angles C4'-P-C4' energy: -146.953 flat angles P-C4'-P energy: -84.378 tors. eta vs tors. theta energy: -202.641 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: 5 ===================================== Write number: 265 Temperature: 1.000000 Total energy: -2033.628422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2033.628422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2033.628422 (E_RNA) where: Base-Base interactions energy: -1350.640 where: short stacking energy: -579.991 Base-Backbone interact. energy: -4.676 local terms energy: -678.312642 where: bonds (distance) C4'-P energy: -140.992 bonds (distance) P-C4' energy: -120.423 flat angles C4'-P-C4' energy: -144.434 flat angles P-C4'-P energy: -99.895 tors. eta vs tors. theta energy: -172.569 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 265 Temperature: 1.050000 Total energy: -1953.901184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1953.901184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1953.901184 (E_RNA) where: Base-Base interactions energy: -1328.299 where: short stacking energy: -563.332 Base-Backbone interact. energy: -1.956 local terms energy: -623.646528 where: bonds (distance) C4'-P energy: -122.740 bonds (distance) P-C4' energy: -116.372 flat angles C4'-P-C4' energy: -132.116 flat angles P-C4'-P energy: -90.005 tors. eta vs tors. theta energy: -162.415 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: 265 Temperature: 1.100000 Total energy: -1766.077118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1766.077118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1766.077118 (E_RNA) where: Base-Base interactions energy: -1179.842 where: short stacking energy: -472.713 Base-Backbone interact. energy: -4.515 local terms energy: -581.720160 where: bonds (distance) C4'-P energy: -126.498 bonds (distance) P-C4' energy: -123.861 flat angles C4'-P-C4' energy: -127.684 flat angles P-C4'-P energy: -67.932 tors. eta vs tors. theta energy: -135.746 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 265 Temperature: 1.150000 Total energy: -1582.743741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1582.743741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1582.743741 (E_RNA) where: Base-Base interactions energy: -1016.007 where: short stacking energy: -430.275 Base-Backbone interact. energy: -4.258 local terms energy: -562.477874 where: bonds (distance) C4'-P energy: -98.871 bonds (distance) P-C4' energy: -113.445 flat angles C4'-P-C4' energy: -143.925 flat angles P-C4'-P energy: -80.382 tors. eta vs tors. theta energy: -125.854 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 265 Temperature: 1.200000 Total energy: -968.454468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -968.454468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -968.454468 (E_RNA) where: Base-Base interactions energy: -522.719 where: short stacking energy: -265.130 Base-Backbone interact. energy: -1.985 local terms energy: -443.750223 where: bonds (distance) C4'-P energy: -113.401 bonds (distance) P-C4' energy: -124.067 flat angles C4'-P-C4' energy: -100.056 flat angles P-C4'-P energy: -74.990 tors. eta vs tors. theta energy: -31.236 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 265 Temperature: 1.250000 Total energy: -970.842262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -970.842262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -970.842262 (E_RNA) where: Base-Base interactions energy: -514.704 where: short stacking energy: -248.010 Base-Backbone interact. energy: -2.714 local terms energy: -453.424253 where: bonds (distance) C4'-P energy: -131.462 bonds (distance) P-C4' energy: -112.587 flat angles C4'-P-C4' energy: -120.450 flat angles P-C4'-P energy: -67.996 tors. eta vs tors. theta energy: -20.930 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: 9, replica: 9 ===================================== Write number: 265 Temperature: 1.300000 Total energy: -719.037528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -719.037528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -719.037528 (E_RNA) where: Base-Base interactions energy: -341.489 where: short stacking energy: -184.964 Base-Backbone interact. energy: 0.505 local terms energy: -378.053338 where: bonds (distance) C4'-P energy: -97.262 bonds (distance) P-C4' energy: -116.672 flat angles C4'-P-C4' energy: -106.995 flat angles P-C4'-P energy: -52.603 tors. eta vs tors. theta energy: -4.521 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: 4 ===================================== Write number: 265 Temperature: 1.350000 Total energy: -494.449315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -494.449315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -494.449315 (E_RNA) where: Base-Base interactions energy: -184.821 where: short stacking energy: -145.716 Base-Backbone interact. energy: 2.040 local terms energy: -311.668352 where: bonds (distance) C4'-P energy: -90.329 bonds (distance) P-C4' energy: -96.681 flat angles C4'-P-C4' energy: -106.537 flat angles P-C4'-P energy: -44.591 tors. eta vs tors. theta energy: 26.470 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 266 Temperature: 0.900000 Total energy: -2270.693536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2270.693536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2270.693536 (E_RNA) where: Base-Base interactions energy: -1539.430 where: short stacking energy: -633.907 Base-Backbone interact. energy: -0.256 local terms energy: -731.006686 where: bonds (distance) C4'-P energy: -122.212 bonds (distance) P-C4' energy: -144.821 flat angles C4'-P-C4' energy: -155.663 flat angles P-C4'-P energy: -100.644 tors. eta vs tors. theta energy: -207.668 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: 7 ===================================== Write number: 266 Temperature: 0.950000 Total energy: -2171.824657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2171.824657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2171.824657 (E_RNA) where: Base-Base interactions energy: -1460.189 where: short stacking energy: -610.391 Base-Backbone interact. energy: -2.109 local terms energy: -709.527057 where: bonds (distance) C4'-P energy: -130.315 bonds (distance) P-C4' energy: -122.566 flat angles C4'-P-C4' energy: -145.012 flat angles P-C4'-P energy: -96.953 tors. eta vs tors. theta energy: -214.682 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: 266 Temperature: 1.000000 Total energy: -2095.893621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2095.893621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2095.893621 (E_RNA) where: Base-Base interactions energy: -1404.980 where: short stacking energy: -592.487 Base-Backbone interact. energy: -1.113 local terms energy: -689.799715 where: bonds (distance) C4'-P energy: -122.584 bonds (distance) P-C4' energy: -128.863 flat angles C4'-P-C4' energy: -150.657 flat angles P-C4'-P energy: -107.470 tors. eta vs tors. theta energy: -180.226 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: 10 ===================================== Write number: 266 Temperature: 1.050000 Total energy: -1943.153421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1943.153421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1943.153421 (E_RNA) where: Base-Base interactions energy: -1327.950 where: short stacking energy: -557.474 Base-Backbone interact. energy: -2.871 local terms energy: -612.333105 where: bonds (distance) C4'-P energy: -116.590 bonds (distance) P-C4' energy: -116.422 flat angles C4'-P-C4' energy: -121.794 flat angles P-C4'-P energy: -88.159 tors. eta vs tors. theta energy: -169.367 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: 5, replica: 8 ===================================== Write number: 266 Temperature: 1.100000 Total energy: -1765.139191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1765.139191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1765.139191 (E_RNA) where: Base-Base interactions energy: -1191.202 where: short stacking energy: -499.132 Base-Backbone interact. energy: -0.401 local terms energy: -573.536827 where: bonds (distance) C4'-P energy: -111.208 bonds (distance) P-C4' energy: -116.197 flat angles C4'-P-C4' energy: -133.984 flat angles P-C4'-P energy: -72.067 tors. eta vs tors. theta energy: -140.082 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 266 Temperature: 1.150000 Total energy: -1586.226865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1586.226865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1586.226865 (E_RNA) where: Base-Base interactions energy: -1024.400 where: short stacking energy: -440.691 Base-Backbone interact. energy: -3.270 local terms energy: -558.557263 where: bonds (distance) C4'-P energy: -122.643 bonds (distance) P-C4' energy: -110.229 flat angles C4'-P-C4' energy: -128.370 flat angles P-C4'-P energy: -81.894 tors. eta vs tors. theta energy: -115.420 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 266 Temperature: 1.200000 Total energy: -983.436192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -983.436192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -983.436192 (E_RNA) where: Base-Base interactions energy: -546.123 where: short stacking energy: -257.050 Base-Backbone interact. energy: -3.799 local terms energy: -437.040347 where: bonds (distance) C4'-P energy: -98.308 bonds (distance) P-C4' energy: -137.281 flat angles C4'-P-C4' energy: -101.622 flat angles P-C4'-P energy: -66.837 tors. eta vs tors. theta energy: -32.993 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 3.526 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 266 Temperature: 1.250000 Total energy: -912.805336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -912.805336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -912.805336 (E_RNA) where: Base-Base interactions energy: -520.417 where: short stacking energy: -234.477 Base-Backbone interact. energy: -0.475 local terms energy: -391.913061 where: bonds (distance) C4'-P energy: -114.076 bonds (distance) P-C4' energy: -122.219 flat angles C4'-P-C4' energy: -93.613 flat angles P-C4'-P energy: -44.136 tors. eta vs tors. theta energy: -17.870 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 266 Temperature: 1.300000 Total energy: -637.117464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -637.117464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -637.117464 (E_RNA) where: Base-Base interactions energy: -270.796 where: short stacking energy: -175.779 Base-Backbone interact. energy: -3.710 local terms energy: -362.611743 where: bonds (distance) C4'-P energy: -100.409 bonds (distance) P-C4' energy: -113.477 flat angles C4'-P-C4' energy: -97.826 flat angles P-C4'-P energy: -55.407 tors. eta vs tors. theta energy: 4.508 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 266 Temperature: 1.350000 Total energy: -529.804182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -529.804182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -529.804182 (E_RNA) where: Base-Base interactions energy: -200.380 where: short stacking energy: -107.513 Base-Backbone interact. energy: 1.696 local terms energy: -331.120681 where: bonds (distance) C4'-P energy: -112.316 bonds (distance) P-C4' energy: -111.720 flat angles C4'-P-C4' energy: -92.649 flat angles P-C4'-P energy: -35.904 tors. eta vs tors. theta energy: 21.468 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 267 Temperature: 0.900000 Total energy: -2247.178306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2247.178306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2247.178306 (E_RNA) where: Base-Base interactions energy: -1533.970 where: short stacking energy: -636.954 Base-Backbone interact. energy: -2.653 local terms energy: -710.554955 where: bonds (distance) C4'-P energy: -138.083 bonds (distance) P-C4' energy: -125.358 flat angles C4'-P-C4' energy: -160.224 flat angles P-C4'-P energy: -97.803 tors. eta vs tors. theta energy: -189.086 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: 7 ===================================== Write number: 267 Temperature: 0.950000 Total energy: -2162.843150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2162.843150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2162.843150 (E_RNA) where: Base-Base interactions energy: -1449.027 where: short stacking energy: -626.046 Base-Backbone interact. energy: -2.486 local terms energy: -711.329739 where: bonds (distance) C4'-P energy: -135.689 bonds (distance) P-C4' energy: -128.165 flat angles C4'-P-C4' energy: -138.354 flat angles P-C4'-P energy: -103.363 tors. eta vs tors. theta energy: -205.759 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: 5 ===================================== Write number: 267 Temperature: 1.000000 Total energy: -2033.646032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2033.646032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2033.646032 (E_RNA) where: Base-Base interactions energy: -1395.256 where: short stacking energy: -581.533 Base-Backbone interact. energy: -1.870 local terms energy: -636.520875 where: bonds (distance) C4'-P energy: -121.836 bonds (distance) P-C4' energy: -119.490 flat angles C4'-P-C4' energy: -139.492 flat angles P-C4'-P energy: -88.704 tors. eta vs tors. theta energy: -166.999 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 267 Temperature: 1.050000 Total energy: -1921.630366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1921.630366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1921.630366 (E_RNA) where: Base-Base interactions energy: -1297.616 where: short stacking energy: -515.845 Base-Backbone interact. energy: -2.123 local terms energy: -621.891223 where: bonds (distance) C4'-P energy: -130.216 bonds (distance) P-C4' energy: -119.562 flat angles C4'-P-C4' energy: -121.711 flat angles P-C4'-P energy: -89.549 tors. eta vs tors. theta energy: -160.853 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: 8 ===================================== Write number: 267 Temperature: 1.100000 Total energy: -1809.822858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1809.822858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1809.822858 (E_RNA) where: Base-Base interactions energy: -1187.778 where: short stacking energy: -500.817 Base-Backbone interact. energy: 2.242 local terms energy: -624.287191 where: bonds (distance) C4'-P energy: -137.589 bonds (distance) P-C4' energy: -125.597 flat angles C4'-P-C4' energy: -141.904 flat angles P-C4'-P energy: -69.630 tors. eta vs tors. theta energy: -149.566 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: 6 ===================================== Write number: 267 Temperature: 1.150000 Total energy: -1602.284408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1602.284408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1602.284408 (E_RNA) where: Base-Base interactions energy: -1041.051 where: short stacking energy: -448.011 Base-Backbone interact. energy: -0.626 local terms energy: -560.606795 where: bonds (distance) C4'-P energy: -118.005 bonds (distance) P-C4' energy: -116.694 flat angles C4'-P-C4' energy: -118.342 flat angles P-C4'-P energy: -82.400 tors. eta vs tors. theta energy: -125.167 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: 7, replica: 1 ===================================== Write number: 267 Temperature: 1.200000 Total energy: -1000.859523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1000.859523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1000.859523 (E_RNA) where: Base-Base interactions energy: -550.317 where: short stacking energy: -276.495 Base-Backbone interact. energy: 0.681 local terms energy: -451.223454 where: bonds (distance) C4'-P energy: -115.088 bonds (distance) P-C4' energy: -100.160 flat angles C4'-P-C4' energy: -118.732 flat angles P-C4'-P energy: -80.529 tors. eta vs tors. theta energy: -36.715 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 267 Temperature: 1.250000 Total energy: -914.813014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -914.813014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -914.813014 (E_RNA) where: Base-Base interactions energy: -498.054 where: short stacking energy: -243.375 Base-Backbone interact. energy: -2.010 local terms energy: -414.748681 where: bonds (distance) C4'-P energy: -116.054 bonds (distance) P-C4' energy: -120.895 flat angles C4'-P-C4' energy: -103.344 flat angles P-C4'-P energy: -48.166 tors. eta vs tors. theta energy: -26.290 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 267 Temperature: 1.300000 Total energy: -631.654679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -631.654679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -631.654679 (E_RNA) where: Base-Base interactions energy: -257.703 where: short stacking energy: -171.093 Base-Backbone interact. energy: 0.926 local terms energy: -374.877695 where: bonds (distance) C4'-P energy: -115.559 bonds (distance) P-C4' energy: -121.302 flat angles C4'-P-C4' energy: -85.559 flat angles P-C4'-P energy: -55.051 tors. eta vs tors. theta energy: 2.593 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 267 Temperature: 1.350000 Total energy: -504.322523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -504.322523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -504.322523 (E_RNA) where: Base-Base interactions energy: -167.700 where: short stacking energy: -128.001 Base-Backbone interact. energy: -3.262 local terms energy: -333.361325 where: bonds (distance) C4'-P energy: -102.903 bonds (distance) P-C4' energy: -122.039 flat angles C4'-P-C4' energy: -107.003 flat angles P-C4'-P energy: -36.500 tors. eta vs tors. theta energy: 35.084 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: 2 ===================================== Write number: 268 Temperature: 0.900000 Total energy: -2294.980873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2294.980873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2294.980873 (E_RNA) where: Base-Base interactions energy: -1574.818 where: short stacking energy: -626.367 Base-Backbone interact. energy: -4.074 local terms energy: -716.089395 where: bonds (distance) C4'-P energy: -123.130 bonds (distance) P-C4' energy: -132.997 flat angles C4'-P-C4' energy: -153.134 flat angles P-C4'-P energy: -102.234 tors. eta vs tors. theta energy: -204.595 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 268 Temperature: 0.950000 Total energy: -2137.300837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2137.300837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2137.300837 (E_RNA) where: Base-Base interactions energy: -1424.777 where: short stacking energy: -643.932 Base-Backbone interact. energy: -1.150 local terms energy: -711.373971 where: bonds (distance) C4'-P energy: -131.238 bonds (distance) P-C4' energy: -124.601 flat angles C4'-P-C4' energy: -142.235 flat angles P-C4'-P energy: -102.295 tors. eta vs tors. theta energy: -211.005 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 268 Temperature: 1.000000 Total energy: -2048.892958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2048.892958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2048.892958 (E_RNA) where: Base-Base interactions energy: -1382.946 where: short stacking energy: -595.456 Base-Backbone interact. energy: -4.277 local terms energy: -661.669682 where: bonds (distance) C4'-P energy: -139.359 bonds (distance) P-C4' energy: -112.915 flat angles C4'-P-C4' energy: -137.077 flat angles P-C4'-P energy: -91.463 tors. eta vs tors. theta energy: -180.855 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 268 Temperature: 1.050000 Total energy: -1959.204498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1959.204498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1959.204498 (E_RNA) where: Base-Base interactions energy: -1341.545 where: short stacking energy: -566.700 Base-Backbone interact. energy: -3.817 local terms energy: -613.842788 where: bonds (distance) C4'-P energy: -114.707 bonds (distance) P-C4' energy: -100.393 flat angles C4'-P-C4' energy: -148.603 flat angles P-C4'-P energy: -83.295 tors. eta vs tors. theta energy: -166.844 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 268 Temperature: 1.100000 Total energy: -1789.709514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1789.709514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1789.709514 (E_RNA) where: Base-Base interactions energy: -1187.225 where: short stacking energy: -496.338 Base-Backbone interact. energy: 0.818 local terms energy: -603.302053 where: bonds (distance) C4'-P energy: -107.077 bonds (distance) P-C4' energy: -132.139 flat angles C4'-P-C4' energy: -142.440 flat angles P-C4'-P energy: -78.953 tors. eta vs tors. theta energy: -142.692 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 268 Temperature: 1.150000 Total energy: -1585.637598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1585.637598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1585.637598 (E_RNA) where: Base-Base interactions energy: -1035.079 where: short stacking energy: -437.032 Base-Backbone interact. energy: -5.547 local terms energy: -545.011782 where: bonds (distance) C4'-P energy: -112.029 bonds (distance) P-C4' energy: -116.312 flat angles C4'-P-C4' energy: -125.582 flat angles P-C4'-P energy: -77.207 tors. eta vs tors. theta energy: -113.881 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 268 Temperature: 1.200000 Total energy: -974.559006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -974.559006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -974.559006 (E_RNA) where: Base-Base interactions energy: -521.133 where: short stacking energy: -262.233 Base-Backbone interact. energy: 2.959 local terms energy: -456.385383 where: bonds (distance) C4'-P energy: -115.421 bonds (distance) P-C4' energy: -122.317 flat angles C4'-P-C4' energy: -107.923 flat angles P-C4'-P energy: -77.570 tors. eta vs tors. theta energy: -33.154 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 268 Temperature: 1.250000 Total energy: -982.069684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -982.069684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -982.069684 (E_RNA) where: Base-Base interactions energy: -538.863 where: short stacking energy: -255.488 Base-Backbone interact. energy: -3.094 local terms energy: -442.336304 where: bonds (distance) C4'-P energy: -114.094 bonds (distance) P-C4' energy: -111.758 flat angles C4'-P-C4' energy: -117.491 flat angles P-C4'-P energy: -64.170 tors. eta vs tors. theta energy: -34.824 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 2.224 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 268 Temperature: 1.300000 Total energy: -632.582794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -632.582794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -632.582794 (E_RNA) where: Base-Base interactions energy: -278.324 where: short stacking energy: -173.131 Base-Backbone interact. energy: 4.287 local terms energy: -358.545982 where: bonds (distance) C4'-P energy: -113.687 bonds (distance) P-C4' energy: -96.609 flat angles C4'-P-C4' energy: -99.297 flat angles P-C4'-P energy: -55.441 tors. eta vs tors. theta energy: 6.488 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: 4 ===================================== Write number: 268 Temperature: 1.350000 Total energy: -495.637025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -495.637025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -495.637025 (E_RNA) where: Base-Base interactions energy: -160.535 where: short stacking energy: -105.256 Base-Backbone interact. energy: -4.014 local terms energy: -331.087956 where: bonds (distance) C4'-P energy: -117.272 bonds (distance) P-C4' energy: -95.200 flat angles C4'-P-C4' energy: -88.145 flat angles P-C4'-P energy: -66.404 tors. eta vs tors. theta energy: 35.933 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 269 Temperature: 0.900000 Total energy: -2238.226554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2238.226554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2238.226554 (E_RNA) where: Base-Base interactions energy: -1533.736 where: short stacking energy: -632.744 Base-Backbone interact. energy: 0.131 local terms energy: -704.621866 where: bonds (distance) C4'-P energy: -140.060 bonds (distance) P-C4' energy: -122.902 flat angles C4'-P-C4' energy: -140.931 flat angles P-C4'-P energy: -98.920 tors. eta vs tors. theta energy: -201.809 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 269 Temperature: 0.950000 Total energy: -2152.453310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2152.453310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2152.453310 (E_RNA) where: Base-Base interactions energy: -1481.926 where: short stacking energy: -632.681 Base-Backbone interact. energy: -2.786 local terms energy: -667.741826 where: bonds (distance) C4'-P energy: -111.691 bonds (distance) P-C4' energy: -131.715 flat angles C4'-P-C4' energy: -143.299 flat angles P-C4'-P energy: -87.375 tors. eta vs tors. theta energy: -193.663 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 269 Temperature: 1.000000 Total energy: -2053.122577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2053.122577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2053.122577 (E_RNA) where: Base-Base interactions energy: -1366.175 where: short stacking energy: -590.872 Base-Backbone interact. energy: -1.809 local terms energy: -685.139120 where: bonds (distance) C4'-P energy: -124.433 bonds (distance) P-C4' energy: -141.571 flat angles C4'-P-C4' energy: -139.646 flat angles P-C4'-P energy: -102.010 tors. eta vs tors. theta energy: -177.480 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 269 Temperature: 1.050000 Total energy: -1947.827354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1947.827354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1947.827354 (E_RNA) where: Base-Base interactions energy: -1331.696 where: short stacking energy: -565.938 Base-Backbone interact. energy: 0.064 local terms energy: -616.195277 where: bonds (distance) C4'-P energy: -129.617 bonds (distance) P-C4' energy: -103.856 flat angles C4'-P-C4' energy: -137.712 flat angles P-C4'-P energy: -88.200 tors. eta vs tors. theta energy: -156.810 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 269 Temperature: 1.100000 Total energy: -1739.591123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1739.591123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1739.591123 (E_RNA) where: Base-Base interactions energy: -1140.844 where: short stacking energy: -465.819 Base-Backbone interact. energy: -0.625 local terms energy: -598.121682 where: bonds (distance) C4'-P energy: -112.485 bonds (distance) P-C4' energy: -123.965 flat angles C4'-P-C4' energy: -144.329 flat angles P-C4'-P energy: -83.700 tors. eta vs tors. theta energy: -133.643 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: 6 ===================================== Write number: 269 Temperature: 1.150000 Total energy: -1593.714313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1593.714313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1593.714313 (E_RNA) where: Base-Base interactions energy: -1063.010 where: short stacking energy: -474.417 Base-Backbone interact. energy: -3.629 local terms energy: -527.075809 where: bonds (distance) C4'-P energy: -110.167 bonds (distance) P-C4' energy: -101.006 flat angles C4'-P-C4' energy: -106.530 flat angles P-C4'-P energy: -84.490 tors. eta vs tors. theta energy: -124.883 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: 3 ===================================== Write number: 269 Temperature: 1.200000 Total energy: -1034.419962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1034.419962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1034.419962 (E_RNA) where: Base-Base interactions energy: -599.596 where: short stacking energy: -338.862 Base-Backbone interact. energy: -4.370 local terms energy: -430.453633 where: bonds (distance) C4'-P energy: -89.951 bonds (distance) P-C4' energy: -84.207 flat angles C4'-P-C4' energy: -114.697 flat angles P-C4'-P energy: -73.892 tors. eta vs tors. theta energy: -67.705 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 269 Temperature: 1.250000 Total energy: -958.648286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -958.648286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -958.648286 (E_RNA) where: Base-Base interactions energy: -547.958 where: short stacking energy: -275.146 Base-Backbone interact. energy: 0.058 local terms energy: -410.748872 where: bonds (distance) C4'-P energy: -113.268 bonds (distance) P-C4' energy: -87.290 flat angles C4'-P-C4' energy: -94.834 flat angles P-C4'-P energy: -66.236 tors. eta vs tors. theta energy: -49.121 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: 9 ===================================== Write number: 269 Temperature: 1.300000 Total energy: -612.860429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -612.860429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -612.860429 (E_RNA) where: Base-Base interactions energy: -262.127 where: short stacking energy: -142.434 Base-Backbone interact. energy: -0.287 local terms energy: -350.446586 where: bonds (distance) C4'-P energy: -115.444 bonds (distance) P-C4' energy: -99.631 flat angles C4'-P-C4' energy: -90.703 flat angles P-C4'-P energy: -62.791 tors. eta vs tors. theta energy: 18.122 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: 269 Temperature: 1.350000 Total energy: -501.895713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -501.895713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -501.895713 (E_RNA) where: Base-Base interactions energy: -148.020 where: short stacking energy: -109.816 Base-Backbone interact. energy: -2.123 local terms energy: -351.752582 where: bonds (distance) C4'-P energy: -90.080 bonds (distance) P-C4' energy: -121.639 flat angles C4'-P-C4' energy: -95.450 flat angles P-C4'-P energy: -64.981 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: 2 ===================================== Write number: 270 Temperature: 0.900000 Total energy: -2246.597713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2246.597713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2246.597713 (E_RNA) where: Base-Base interactions energy: -1539.660 where: short stacking energy: -641.319 Base-Backbone interact. energy: -1.252 local terms energy: -705.686184 where: bonds (distance) C4'-P energy: -126.161 bonds (distance) P-C4' energy: -125.939 flat angles C4'-P-C4' energy: -153.664 flat angles P-C4'-P energy: -95.978 tors. eta vs tors. theta energy: -203.944 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: 7 ===================================== Write number: 270 Temperature: 0.950000 Total energy: -2164.716349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2164.716349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2164.716349 (E_RNA) where: Base-Base interactions energy: -1467.254 where: short stacking energy: -630.139 Base-Backbone interact. energy: -1.724 local terms energy: -695.738322 where: bonds (distance) C4'-P energy: -122.659 bonds (distance) P-C4' energy: -127.345 flat angles C4'-P-C4' energy: -141.792 flat angles P-C4'-P energy: -105.551 tors. eta vs tors. theta energy: -198.391 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 270 Temperature: 1.000000 Total energy: -2073.137328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2073.137328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2073.137328 (E_RNA) where: Base-Base interactions energy: -1394.239 where: short stacking energy: -582.794 Base-Backbone interact. energy: -2.549 local terms energy: -676.348784 where: bonds (distance) C4'-P energy: -109.419 bonds (distance) P-C4' energy: -127.244 flat angles C4'-P-C4' energy: -149.760 flat angles P-C4'-P energy: -107.448 tors. eta vs tors. theta energy: -182.477 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 270 Temperature: 1.050000 Total energy: -1975.059880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1975.059880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1975.059880 (E_RNA) where: Base-Base interactions energy: -1336.609 where: short stacking energy: -569.675 Base-Backbone interact. energy: -1.294 local terms energy: -637.156475 where: bonds (distance) C4'-P energy: -118.142 bonds (distance) P-C4' energy: -119.879 flat angles C4'-P-C4' energy: -145.433 flat angles P-C4'-P energy: -84.007 tors. eta vs tors. theta energy: -169.695 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 270 Temperature: 1.100000 Total energy: -1682.200667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1682.200667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1682.200667 (E_RNA) where: Base-Base interactions energy: -1112.485 where: short stacking energy: -461.314 Base-Backbone interact. energy: -0.949 local terms energy: -568.766599 where: bonds (distance) C4'-P energy: -110.056 bonds (distance) P-C4' energy: -112.247 flat angles C4'-P-C4' energy: -130.633 flat angles P-C4'-P energy: -85.938 tors. eta vs tors. theta energy: -129.892 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: 6 ===================================== Write number: 270 Temperature: 1.150000 Total energy: -1589.018044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1589.018044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1589.018044 (E_RNA) where: Base-Base interactions energy: -1040.514 where: short stacking energy: -469.666 Base-Backbone interact. energy: 2.223 local terms energy: -550.727097 where: bonds (distance) C4'-P energy: -112.948 bonds (distance) P-C4' energy: -108.443 flat angles C4'-P-C4' energy: -114.327 flat angles P-C4'-P energy: -86.439 tors. eta vs tors. theta energy: -128.571 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: 3 ===================================== Write number: 270 Temperature: 1.200000 Total energy: -1022.754696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1022.754696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1022.754696 (E_RNA) where: Base-Base interactions energy: -580.210 where: short stacking energy: -270.392 Base-Backbone interact. energy: 0.066 local terms energy: -442.610821 where: bonds (distance) C4'-P energy: -108.178 bonds (distance) P-C4' energy: -112.598 flat angles C4'-P-C4' energy: -121.958 flat angles P-C4'-P energy: -68.002 tors. eta vs tors. theta energy: -31.875 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 270 Temperature: 1.250000 Total energy: -1005.912775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1005.912775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1005.912775 (E_RNA) where: Base-Base interactions energy: -570.043 where: short stacking energy: -245.150 Base-Backbone interact. energy: -3.032 local terms energy: -432.837772 where: bonds (distance) C4'-P energy: -119.829 bonds (distance) P-C4' energy: -112.338 flat angles C4'-P-C4' energy: -104.011 flat angles P-C4'-P energy: -67.654 tors. eta vs tors. theta energy: -29.006 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: 9 ===================================== Write number: 270 Temperature: 1.300000 Total energy: -622.598528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -622.598528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -622.598528 (E_RNA) where: Base-Base interactions energy: -285.242 where: short stacking energy: -170.730 Base-Backbone interact. energy: 0.645 local terms energy: -338.002201 where: bonds (distance) C4'-P energy: -118.757 bonds (distance) P-C4' energy: -101.290 flat angles C4'-P-C4' energy: -93.791 flat angles P-C4'-P energy: -53.603 tors. eta vs tors. theta energy: 29.439 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 270 Temperature: 1.350000 Total energy: -480.092092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -480.092092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -480.092092 (E_RNA) where: Base-Base interactions energy: -140.067 where: short stacking energy: -127.345 Base-Backbone interact. energy: -2.152 local terms energy: -337.873191 where: bonds (distance) C4'-P energy: -119.017 bonds (distance) P-C4' energy: -117.741 flat angles C4'-P-C4' energy: -87.731 flat angles P-C4'-P energy: -53.533 tors. eta vs tors. theta energy: 40.149 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 271 Temperature: 0.900000 Total energy: -2230.715780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2230.715780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2230.715780 (E_RNA) where: Base-Base interactions energy: -1530.882 where: short stacking energy: -650.982 Base-Backbone interact. energy: 0.496 local terms energy: -700.330348 where: bonds (distance) C4'-P energy: -130.374 bonds (distance) P-C4' energy: -131.274 flat angles C4'-P-C4' energy: -148.314 flat angles P-C4'-P energy: -84.773 tors. eta vs tors. theta energy: -205.596 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 271 Temperature: 0.950000 Total energy: -2195.071096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2195.071096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2195.071096 (E_RNA) where: Base-Base interactions energy: -1481.660 where: short stacking energy: -635.131 Base-Backbone interact. energy: -2.398 local terms energy: -711.013194 where: bonds (distance) C4'-P energy: -132.455 bonds (distance) P-C4' energy: -128.587 flat angles C4'-P-C4' energy: -147.575 flat angles P-C4'-P energy: -93.152 tors. eta vs tors. theta energy: -209.244 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: 3, replica: 5 ===================================== Write number: 271 Temperature: 1.000000 Total energy: -2085.938461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2085.938461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2085.938461 (E_RNA) where: Base-Base interactions energy: -1411.013 where: short stacking energy: -611.198 Base-Backbone interact. energy: 0.234 local terms energy: -675.159058 where: bonds (distance) C4'-P energy: -147.264 bonds (distance) P-C4' energy: -124.957 flat angles C4'-P-C4' energy: -139.663 flat angles P-C4'-P energy: -83.632 tors. eta vs tors. theta energy: -179.643 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 271 Temperature: 1.050000 Total energy: -1991.211471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1991.211471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1991.211471 (E_RNA) where: Base-Base interactions energy: -1321.821 where: short stacking energy: -553.283 Base-Backbone interact. energy: -2.009 local terms energy: -667.381943 where: bonds (distance) C4'-P energy: -112.959 bonds (distance) P-C4' energy: -129.589 flat angles C4'-P-C4' energy: -149.248 flat angles P-C4'-P energy: -91.436 tors. eta vs tors. theta energy: -184.149 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 271 Temperature: 1.100000 Total energy: -1729.616373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1729.616373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1729.616373 (E_RNA) where: Base-Base interactions energy: -1179.556 where: short stacking energy: -478.347 Base-Backbone interact. energy: -3.823 local terms energy: -546.506756 where: bonds (distance) C4'-P energy: -110.545 bonds (distance) P-C4' energy: -109.569 flat angles C4'-P-C4' energy: -127.543 flat angles P-C4'-P energy: -65.990 tors. eta vs tors. theta energy: -132.860 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.269 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 271 Temperature: 1.150000 Total energy: -1691.212000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1691.212000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1691.212000 (E_RNA) where: Base-Base interactions energy: -1129.954 where: short stacking energy: -486.831 Base-Backbone interact. energy: -0.447 local terms energy: -560.811208 where: bonds (distance) C4'-P energy: -102.324 bonds (distance) P-C4' energy: -117.729 flat angles C4'-P-C4' energy: -120.097 flat angles P-C4'-P energy: -80.731 tors. eta vs tors. theta energy: -139.930 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: 3 ===================================== Write number: 271 Temperature: 1.200000 Total energy: -987.486039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -987.486039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -987.486039 (E_RNA) where: Base-Base interactions energy: -563.156 where: short stacking energy: -278.237 Base-Backbone interact. energy: 2.796 local terms energy: -427.125440 where: bonds (distance) C4'-P energy: -102.472 bonds (distance) P-C4' energy: -109.147 flat angles C4'-P-C4' energy: -117.437 flat angles P-C4'-P energy: -61.794 tors. eta vs tors. theta energy: -36.275 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 271 Temperature: 1.250000 Total energy: -964.962029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -964.962029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -964.962029 (E_RNA) where: Base-Base interactions energy: -538.443 where: short stacking energy: -253.740 Base-Backbone interact. energy: -0.795 local terms energy: -425.724025 where: bonds (distance) C4'-P energy: -116.361 bonds (distance) P-C4' energy: -109.385 flat angles C4'-P-C4' energy: -113.400 flat angles P-C4'-P energy: -51.988 tors. eta vs tors. theta energy: -34.591 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 271 Temperature: 1.300000 Total energy: -618.524568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -618.524568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -618.524568 (E_RNA) where: Base-Base interactions energy: -256.960 where: short stacking energy: -158.819 Base-Backbone interact. energy: -1.315 local terms energy: -360.249604 where: bonds (distance) C4'-P energy: -109.654 bonds (distance) P-C4' energy: -119.414 flat angles C4'-P-C4' energy: -99.962 flat angles P-C4'-P energy: -54.407 tors. eta vs tors. theta energy: 23.188 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 271 Temperature: 1.350000 Total energy: -481.331428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -481.331428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -481.331428 (E_RNA) where: Base-Base interactions energy: -141.025 where: short stacking energy: -104.599 Base-Backbone interact. energy: -0.433 local terms energy: -339.873884 where: bonds (distance) C4'-P energy: -98.728 bonds (distance) P-C4' energy: -107.688 flat angles C4'-P-C4' energy: -95.967 flat angles P-C4'-P energy: -68.569 tors. eta vs tors. theta energy: 31.078 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 272 Temperature: 0.900000 Total energy: -2247.117279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2247.117279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2247.117279 (E_RNA) where: Base-Base interactions energy: -1530.516 where: short stacking energy: -670.716 Base-Backbone interact. energy: -3.698 local terms energy: -712.903559 where: bonds (distance) C4'-P energy: -124.223 bonds (distance) P-C4' energy: -126.810 flat angles C4'-P-C4' energy: -147.443 flat angles P-C4'-P energy: -99.730 tors. eta vs tors. theta energy: -214.698 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 272 Temperature: 0.950000 Total energy: -2187.305709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2187.305709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2187.305709 (E_RNA) where: Base-Base interactions energy: -1461.994 where: short stacking energy: -624.699 Base-Backbone interact. energy: -2.857 local terms energy: -722.454329 where: bonds (distance) C4'-P energy: -130.453 bonds (distance) P-C4' energy: -127.733 flat angles C4'-P-C4' energy: -154.608 flat angles P-C4'-P energy: -108.665 tors. eta vs tors. theta energy: -200.995 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 272 Temperature: 1.000000 Total energy: -2067.798096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2067.798096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2067.798096 (E_RNA) where: Base-Base interactions energy: -1405.760 where: short stacking energy: -591.580 Base-Backbone interact. energy: -2.336 local terms energy: -659.701918 where: bonds (distance) C4'-P energy: -128.683 bonds (distance) P-C4' energy: -135.754 flat angles C4'-P-C4' energy: -130.926 flat angles P-C4'-P energy: -78.687 tors. eta vs tors. theta energy: -185.652 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: 272 Temperature: 1.050000 Total energy: -1980.999351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1980.999351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1980.999351 (E_RNA) where: Base-Base interactions energy: -1323.115 where: short stacking energy: -566.563 Base-Backbone interact. energy: -1.626 local terms energy: -656.258291 where: bonds (distance) C4'-P energy: -124.926 bonds (distance) P-C4' energy: -118.620 flat angles C4'-P-C4' energy: -139.519 flat angles P-C4'-P energy: -93.616 tors. eta vs tors. theta energy: -179.577 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 272 Temperature: 1.100000 Total energy: -1764.440726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1764.440726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1764.440726 (E_RNA) where: Base-Base interactions energy: -1191.225 where: short stacking energy: -499.823 Base-Backbone interact. energy: -0.657 local terms energy: -572.558749 where: bonds (distance) C4'-P energy: -122.812 bonds (distance) P-C4' energy: -100.956 flat angles C4'-P-C4' energy: -124.916 flat angles P-C4'-P energy: -74.494 tors. eta vs tors. theta energy: -149.381 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 272 Temperature: 1.150000 Total energy: -1656.354198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1656.354198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1656.354198 (E_RNA) where: Base-Base interactions energy: -1070.779 where: short stacking energy: -474.083 Base-Backbone interact. energy: -2.347 local terms energy: -583.228765 where: bonds (distance) C4'-P energy: -129.001 bonds (distance) P-C4' energy: -108.647 flat angles C4'-P-C4' energy: -130.503 flat angles P-C4'-P energy: -80.646 tors. eta vs tors. theta energy: -134.432 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: 272 Temperature: 1.200000 Total energy: -1028.946364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1028.946364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1028.946364 (E_RNA) where: Base-Base interactions energy: -550.957 where: short stacking energy: -283.081 Base-Backbone interact. energy: 5.456 local terms energy: -483.445723 where: bonds (distance) C4'-P energy: -113.411 bonds (distance) P-C4' energy: -122.943 flat angles C4'-P-C4' energy: -120.539 flat angles P-C4'-P energy: -76.267 tors. eta vs tors. theta energy: -50.285 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 272 Temperature: 1.250000 Total energy: -965.532449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -965.532449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -965.532449 (E_RNA) where: Base-Base interactions energy: -557.876 where: short stacking energy: -276.473 Base-Backbone interact. energy: 2.226 local terms energy: -409.882494 where: bonds (distance) C4'-P energy: -100.762 bonds (distance) P-C4' energy: -115.356 flat angles C4'-P-C4' energy: -98.512 flat angles P-C4'-P energy: -60.852 tors. eta vs tors. theta energy: -34.399 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: 4 ===================================== Write number: 272 Temperature: 1.300000 Total energy: -580.602580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -580.602580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -580.602580 (E_RNA) where: Base-Base interactions energy: -217.341 where: short stacking energy: -150.250 Base-Backbone interact. energy: -2.545 local terms energy: -360.716707 where: bonds (distance) C4'-P energy: -121.949 bonds (distance) P-C4' energy: -105.649 flat angles C4'-P-C4' energy: -78.862 flat angles P-C4'-P energy: -67.724 tors. eta vs tors. theta energy: 13.468 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: 10, replica: 9 ===================================== Write number: 272 Temperature: 1.350000 Total energy: -559.171987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -559.171987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -559.171987 (E_RNA) where: Base-Base interactions energy: -222.467 where: short stacking energy: -143.765 Base-Backbone interact. energy: -5.064 local terms energy: -331.640940 where: bonds (distance) C4'-P energy: -112.928 bonds (distance) P-C4' energy: -107.751 flat angles C4'-P-C4' energy: -96.166 flat angles P-C4'-P energy: -45.080 tors. eta vs tors. theta energy: 30.285 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: 7 ===================================== Write number: 273 Temperature: 0.900000 Total energy: -2223.962839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2223.962839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2223.962839 (E_RNA) where: Base-Base interactions energy: -1521.171 where: short stacking energy: -602.386 Base-Backbone interact. energy: -3.222 local terms energy: -699.569698 where: bonds (distance) C4'-P energy: -129.079 bonds (distance) P-C4' energy: -132.716 flat angles C4'-P-C4' energy: -138.933 flat angles P-C4'-P energy: -94.477 tors. eta vs tors. theta energy: -204.363 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: 2 ===================================== Write number: 273 Temperature: 0.950000 Total energy: -2214.653254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2214.653254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2214.653254 (E_RNA) where: Base-Base interactions energy: -1509.669 where: short stacking energy: -626.139 Base-Backbone interact. energy: -1.163 local terms energy: -703.821253 where: bonds (distance) C4'-P energy: -123.753 bonds (distance) P-C4' energy: -141.917 flat angles C4'-P-C4' energy: -154.631 flat angles P-C4'-P energy: -83.464 tors. eta vs tors. theta energy: -200.056 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 273 Temperature: 1.000000 Total energy: -2088.123632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2088.123632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2088.123632 (E_RNA) where: Base-Base interactions energy: -1386.911 where: short stacking energy: -618.194 Base-Backbone interact. energy: 1.224 local terms energy: -702.436563 where: bonds (distance) C4'-P energy: -128.125 bonds (distance) P-C4' energy: -140.470 flat angles C4'-P-C4' energy: -145.957 flat angles P-C4'-P energy: -103.671 tors. eta vs tors. theta energy: -184.213 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 273 Temperature: 1.050000 Total energy: -1992.905531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1992.905531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1992.905531 (E_RNA) where: Base-Base interactions energy: -1341.205 where: short stacking energy: -557.014 Base-Backbone interact. energy: -0.295 local terms energy: -651.405407 where: bonds (distance) C4'-P energy: -135.292 bonds (distance) P-C4' energy: -139.497 flat angles C4'-P-C4' energy: -128.830 flat angles P-C4'-P energy: -80.080 tors. eta vs tors. theta energy: -167.707 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: 273 Temperature: 1.100000 Total energy: -1831.021995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1831.021995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1831.021995 (E_RNA) where: Base-Base interactions energy: -1252.069 where: short stacking energy: -510.671 Base-Backbone interact. energy: -3.805 local terms energy: -575.147638 where: bonds (distance) C4'-P energy: -109.050 bonds (distance) P-C4' energy: -118.719 flat angles C4'-P-C4' energy: -121.153 flat angles P-C4'-P energy: -83.447 tors. eta vs tors. theta energy: -142.779 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 273 Temperature: 1.150000 Total energy: -1657.449176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1657.449176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1657.449176 (E_RNA) where: Base-Base interactions energy: -1064.260 where: short stacking energy: -482.453 Base-Backbone interact. energy: -0.606 local terms energy: -592.583542 where: bonds (distance) C4'-P energy: -120.570 bonds (distance) P-C4' energy: -133.119 flat angles C4'-P-C4' energy: -126.218 flat angles P-C4'-P energy: -71.537 tors. eta vs tors. theta energy: -141.139 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 273 Temperature: 1.200000 Total energy: -977.527936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -977.527936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -977.527936 (E_RNA) where: Base-Base interactions energy: -546.874 where: short stacking energy: -269.734 Base-Backbone interact. energy: 6.180 local terms energy: -436.833787 where: bonds (distance) C4'-P energy: -104.149 bonds (distance) P-C4' energy: -116.743 flat angles C4'-P-C4' energy: -101.737 flat angles P-C4'-P energy: -74.617 tors. eta vs tors. theta energy: -39.588 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 273 Temperature: 1.250000 Total energy: -965.767768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -965.767768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -965.767768 (E_RNA) where: Base-Base interactions energy: -532.914 where: short stacking energy: -269.765 Base-Backbone interact. energy: -0.365 local terms energy: -432.488137 where: bonds (distance) C4'-P energy: -100.681 bonds (distance) P-C4' energy: -100.689 flat angles C4'-P-C4' energy: -112.806 flat angles P-C4'-P energy: -69.015 tors. eta vs tors. theta energy: -49.298 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: 4 ===================================== Write number: 273 Temperature: 1.300000 Total energy: -564.245030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -564.245030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -564.245030 (E_RNA) where: Base-Base interactions energy: -211.500 where: short stacking energy: -141.806 Base-Backbone interact. energy: 2.032 local terms energy: -354.776707 where: bonds (distance) C4'-P energy: -93.310 bonds (distance) P-C4' energy: -108.306 flat angles C4'-P-C4' energy: -97.242 flat angles P-C4'-P energy: -63.960 tors. eta vs tors. theta energy: 8.040 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 273 Temperature: 1.350000 Total energy: -597.959096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -597.959096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -597.959096 (E_RNA) where: Base-Base interactions energy: -264.842 where: short stacking energy: -166.637 Base-Backbone interact. energy: 2.404 local terms energy: -335.521494 where: bonds (distance) C4'-P energy: -96.884 bonds (distance) P-C4' energy: -105.147 flat angles C4'-P-C4' energy: -99.250 flat angles P-C4'-P energy: -46.179 tors. eta vs tors. theta energy: 11.939 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: 1, replica: 7 ===================================== Write number: 274 Temperature: 0.900000 Total energy: -2231.895382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2231.895382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2231.895382 (E_RNA) where: Base-Base interactions energy: -1506.314 where: short stacking energy: -615.070 Base-Backbone interact. energy: -1.712 local terms energy: -723.869471 where: bonds (distance) C4'-P energy: -140.075 bonds (distance) P-C4' energy: -129.929 flat angles C4'-P-C4' energy: -146.888 flat angles P-C4'-P energy: -96.738 tors. eta vs tors. theta energy: -210.240 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 274 Temperature: 0.950000 Total energy: -2219.450199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2219.450199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2219.450199 (E_RNA) where: Base-Base interactions energy: -1513.146 where: short stacking energy: -623.043 Base-Backbone interact. energy: -1.806 local terms energy: -704.498572 where: bonds (distance) C4'-P energy: -117.926 bonds (distance) P-C4' energy: -132.157 flat angles C4'-P-C4' energy: -158.483 flat angles P-C4'-P energy: -89.877 tors. eta vs tors. theta energy: -206.055 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 274 Temperature: 1.000000 Total energy: -2073.576566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2073.576566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2073.576566 (E_RNA) where: Base-Base interactions energy: -1398.129 where: short stacking energy: -580.888 Base-Backbone interact. energy: -1.080 local terms energy: -674.366799 where: bonds (distance) C4'-P energy: -121.108 bonds (distance) P-C4' energy: -127.586 flat angles C4'-P-C4' energy: -148.548 flat angles P-C4'-P energy: -93.903 tors. eta vs tors. theta energy: -183.223 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 274 Temperature: 1.050000 Total energy: -1962.794945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1962.794945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1962.794945 (E_RNA) where: Base-Base interactions energy: -1286.651 where: short stacking energy: -550.045 Base-Backbone interact. energy: -2.841 local terms energy: -673.303516 where: bonds (distance) C4'-P energy: -133.705 bonds (distance) P-C4' energy: -128.441 flat angles C4'-P-C4' energy: -148.529 flat angles P-C4'-P energy: -84.679 tors. eta vs tors. theta energy: -177.949 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 274 Temperature: 1.100000 Total energy: -1823.690506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1823.690506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1823.690506 (E_RNA) where: Base-Base interactions energy: -1206.000 where: short stacking energy: -500.846 Base-Backbone interact. energy: -1.579 local terms energy: -616.111058 where: bonds (distance) C4'-P energy: -107.394 bonds (distance) P-C4' energy: -118.205 flat angles C4'-P-C4' energy: -146.130 flat angles P-C4'-P energy: -75.317 tors. eta vs tors. theta energy: -169.066 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 274 Temperature: 1.150000 Total energy: -1688.072105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1688.072105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1688.072105 (E_RNA) where: Base-Base interactions energy: -1093.699 where: short stacking energy: -489.221 Base-Backbone interact. energy: -0.923 local terms energy: -593.450076 where: bonds (distance) C4'-P energy: -99.901 bonds (distance) P-C4' energy: -116.192 flat angles C4'-P-C4' energy: -143.153 flat angles P-C4'-P energy: -80.832 tors. eta vs tors. theta energy: -153.373 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: 7, replica: 1 ===================================== Write number: 274 Temperature: 1.200000 Total energy: -999.856373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -999.856373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -999.856373 (E_RNA) where: Base-Base interactions energy: -563.526 where: short stacking energy: -295.226 Base-Backbone interact. energy: 2.044 local terms energy: -438.374210 where: bonds (distance) C4'-P energy: -114.438 bonds (distance) P-C4' energy: -113.248 flat angles C4'-P-C4' energy: -114.192 flat angles P-C4'-P energy: -69.336 tors. eta vs tors. theta energy: -27.160 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: 3 ===================================== Write number: 274 Temperature: 1.250000 Total energy: -863.607860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -863.607860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -863.607860 (E_RNA) where: Base-Base interactions energy: -438.709 where: short stacking energy: -204.347 Base-Backbone interact. energy: -3.338 local terms energy: -421.560685 where: bonds (distance) C4'-P energy: -127.021 bonds (distance) P-C4' energy: -124.366 flat angles C4'-P-C4' energy: -98.918 flat angles P-C4'-P energy: -70.964 tors. eta vs tors. theta energy: -0.293 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: 9, replica: 4 ===================================== Write number: 274 Temperature: 1.300000 Total energy: -553.296173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -553.296173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -553.296173 (E_RNA) where: Base-Base interactions energy: -198.373 where: short stacking energy: -159.385 Base-Backbone interact. energy: 0.219 local terms energy: -355.141592 where: bonds (distance) C4'-P energy: -111.438 bonds (distance) P-C4' energy: -102.878 flat angles C4'-P-C4' energy: -106.718 flat angles P-C4'-P energy: -60.504 tors. eta vs tors. theta energy: 26.396 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: 9 ===================================== Write number: 274 Temperature: 1.350000 Total energy: -547.927187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -547.927187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -547.927187 (E_RNA) where: Base-Base interactions energy: -232.396 where: short stacking energy: -140.330 Base-Backbone interact. energy: 0.366 local terms energy: -315.896307 where: bonds (distance) C4'-P energy: -112.501 bonds (distance) P-C4' energy: -103.374 flat angles C4'-P-C4' energy: -83.344 flat angles P-C4'-P energy: -34.500 tors. eta vs tors. theta energy: 17.822 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 275 Temperature: 0.900000 Total energy: -2242.084283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2242.084283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2242.084283 (E_RNA) where: Base-Base interactions energy: -1516.892 where: short stacking energy: -633.730 Base-Backbone interact. energy: -3.740 local terms energy: -721.452616 where: bonds (distance) C4'-P energy: -127.965 bonds (distance) P-C4' energy: -138.020 flat angles C4'-P-C4' energy: -156.757 flat angles P-C4'-P energy: -95.469 tors. eta vs tors. theta energy: -203.241 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: 2 ===================================== Write number: 275 Temperature: 0.950000 Total energy: -2201.597956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2201.597956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2201.597956 (E_RNA) where: Base-Base interactions energy: -1516.107 where: short stacking energy: -617.675 Base-Backbone interact. energy: -0.245 local terms energy: -685.246306 where: bonds (distance) C4'-P energy: -133.764 bonds (distance) P-C4' energy: -101.623 flat angles C4'-P-C4' energy: -152.141 flat angles P-C4'-P energy: -100.085 tors. eta vs tors. theta energy: -197.634 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 275 Temperature: 1.000000 Total energy: -2086.102370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2086.102370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2086.102370 (E_RNA) where: Base-Base interactions energy: -1435.160 where: short stacking energy: -598.273 Base-Backbone interact. energy: -3.374 local terms energy: -647.568152 where: bonds (distance) C4'-P energy: -130.391 bonds (distance) P-C4' energy: -121.156 flat angles C4'-P-C4' energy: -140.391 flat angles P-C4'-P energy: -75.700 tors. eta vs tors. theta energy: -179.930 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 275 Temperature: 1.050000 Total energy: -1983.039680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1983.039680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1983.039680 (E_RNA) where: Base-Base interactions energy: -1334.821 where: short stacking energy: -567.402 Base-Backbone interact. energy: -1.164 local terms energy: -647.054420 where: bonds (distance) C4'-P energy: -119.597 bonds (distance) P-C4' energy: -126.863 flat angles C4'-P-C4' energy: -139.020 flat angles P-C4'-P energy: -83.041 tors. eta vs tors. theta energy: -178.534 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: 8 ===================================== Write number: 275 Temperature: 1.100000 Total energy: -1827.310020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1827.310020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1827.310020 (E_RNA) where: Base-Base interactions energy: -1237.104 where: short stacking energy: -520.421 Base-Backbone interact. energy: 3.200 local terms energy: -593.405776 where: bonds (distance) C4'-P energy: -123.317 bonds (distance) P-C4' energy: -114.103 flat angles C4'-P-C4' energy: -130.306 flat angles P-C4'-P energy: -74.194 tors. eta vs tors. theta energy: -151.486 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 275 Temperature: 1.150000 Total energy: -1696.223507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1696.223507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1696.223507 (E_RNA) where: Base-Base interactions energy: -1130.237 where: short stacking energy: -541.727 Base-Backbone interact. energy: -0.200 local terms energy: -565.787209 where: bonds (distance) C4'-P energy: -97.270 bonds (distance) P-C4' energy: -105.165 flat angles C4'-P-C4' energy: -121.266 flat angles P-C4'-P energy: -83.537 tors. eta vs tors. theta energy: -158.548 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 275 Temperature: 1.200000 Total energy: -1065.217403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1065.217403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1065.217403 (E_RNA) where: Base-Base interactions energy: -607.188 where: short stacking energy: -290.514 Base-Backbone interact. energy: -3.784 local terms energy: -454.245356 where: bonds (distance) C4'-P energy: -118.459 bonds (distance) P-C4' energy: -124.048 flat angles C4'-P-C4' energy: -97.240 flat angles P-C4'-P energy: -76.369 tors. eta vs tors. theta energy: -38.130 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 275 Temperature: 1.250000 Total energy: -925.686804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -925.686804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -925.686804 (E_RNA) where: Base-Base interactions energy: -511.966 where: short stacking energy: -265.285 Base-Backbone interact. energy: -0.760 local terms energy: -412.960707 where: bonds (distance) C4'-P energy: -105.470 bonds (distance) P-C4' energy: -99.133 flat angles C4'-P-C4' energy: -102.968 flat angles P-C4'-P energy: -63.847 tors. eta vs tors. theta energy: -41.542 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: 4 ===================================== Write number: 275 Temperature: 1.300000 Total energy: -573.215121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -573.215121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -573.215121 (E_RNA) where: Base-Base interactions energy: -255.246 where: short stacking energy: -153.056 Base-Backbone interact. energy: 3.668 local terms energy: -321.637480 where: bonds (distance) C4'-P energy: -92.868 bonds (distance) P-C4' energy: -95.074 flat angles C4'-P-C4' energy: -90.407 flat angles P-C4'-P energy: -55.814 tors. eta vs tors. theta energy: 12.525 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: 9 ===================================== Write number: 275 Temperature: 1.350000 Total energy: -502.764501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -502.764501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -502.764501 (E_RNA) where: Base-Base interactions energy: -173.701 where: short stacking energy: -128.493 Base-Backbone interact. energy: -0.035 local terms energy: -329.028671 where: bonds (distance) C4'-P energy: -96.405 bonds (distance) P-C4' energy: -101.090 flat angles C4'-P-C4' energy: -99.221 flat angles P-C4'-P energy: -62.009 tors. eta vs tors. theta energy: 29.696 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 276 Temperature: 0.900000 Total energy: -2227.061027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2227.061027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2227.061027 (E_RNA) where: Base-Base interactions energy: -1515.582 where: short stacking energy: -612.581 Base-Backbone interact. energy: -0.731 local terms energy: -710.748043 where: bonds (distance) C4'-P energy: -137.590 bonds (distance) P-C4' energy: -126.649 flat angles C4'-P-C4' energy: -149.286 flat angles P-C4'-P energy: -101.175 tors. eta vs tors. theta energy: -196.047 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 276 Temperature: 0.950000 Total energy: -2203.263391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2203.263391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2203.263391 (E_RNA) where: Base-Base interactions energy: -1501.334 where: short stacking energy: -613.600 Base-Backbone interact. energy: -2.059 local terms energy: -699.870389 where: bonds (distance) C4'-P energy: -122.888 bonds (distance) P-C4' energy: -139.146 flat angles C4'-P-C4' energy: -147.592 flat angles P-C4'-P energy: -97.529 tors. eta vs tors. theta energy: -192.716 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: 5 ===================================== Write number: 276 Temperature: 1.000000 Total energy: -2070.780089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2070.780089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2070.780089 (E_RNA) where: Base-Base interactions energy: -1414.058 where: short stacking energy: -583.256 Base-Backbone interact. energy: 2.328 local terms energy: -659.049656 where: bonds (distance) C4'-P energy: -115.562 bonds (distance) P-C4' energy: -129.432 flat angles C4'-P-C4' energy: -145.488 flat angles P-C4'-P energy: -92.567 tors. eta vs tors. theta energy: -176.001 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: 10 ===================================== Write number: 276 Temperature: 1.050000 Total energy: -1973.279602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1973.279602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1973.279602 (E_RNA) where: Base-Base interactions energy: -1362.243 where: short stacking energy: -561.826 Base-Backbone interact. energy: 3.220 local terms energy: -614.256357 where: bonds (distance) C4'-P energy: -109.414 bonds (distance) P-C4' energy: -121.033 flat angles C4'-P-C4' energy: -131.129 flat angles P-C4'-P energy: -86.783 tors. eta vs tors. theta energy: -165.897 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: 276 Temperature: 1.100000 Total energy: -1855.271067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1855.271067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1855.271067 (E_RNA) where: Base-Base interactions energy: -1236.618 where: short stacking energy: -529.766 Base-Backbone interact. energy: 4.047 local terms energy: -622.700482 where: bonds (distance) C4'-P energy: -112.547 bonds (distance) P-C4' energy: -129.530 flat angles C4'-P-C4' energy: -138.611 flat angles P-C4'-P energy: -84.770 tors. eta vs tors. theta energy: -157.243 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 276 Temperature: 1.150000 Total energy: -1675.803700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1675.803700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1675.803700 (E_RNA) where: Base-Base interactions energy: -1108.208 where: short stacking energy: -466.370 Base-Backbone interact. energy: 0.669 local terms energy: -568.264656 where: bonds (distance) C4'-P energy: -108.665 bonds (distance) P-C4' energy: -119.559 flat angles C4'-P-C4' energy: -105.537 flat angles P-C4'-P energy: -98.077 tors. eta vs tors. theta energy: -136.428 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: 1 ===================================== Write number: 276 Temperature: 1.200000 Total energy: -1047.228522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1047.228522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1047.228522 (E_RNA) where: Base-Base interactions energy: -584.982 where: short stacking energy: -293.276 Base-Backbone interact. energy: 2.742 local terms energy: -464.988362 where: bonds (distance) C4'-P energy: -124.860 bonds (distance) P-C4' energy: -119.902 flat angles C4'-P-C4' energy: -92.870 flat angles P-C4'-P energy: -75.743 tors. eta vs tors. theta energy: -51.613 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 276 Temperature: 1.250000 Total energy: -930.035425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -930.035425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -930.035425 (E_RNA) where: Base-Base interactions energy: -504.642 where: short stacking energy: -236.007 Base-Backbone interact. energy: 1.667 local terms energy: -427.059992 where: bonds (distance) C4'-P energy: -105.910 bonds (distance) P-C4' energy: -130.241 flat angles C4'-P-C4' energy: -112.575 flat angles P-C4'-P energy: -59.688 tors. eta vs tors. theta energy: -18.646 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: 9 ===================================== Write number: 276 Temperature: 1.300000 Total energy: -627.713745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -627.713745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -627.713745 (E_RNA) where: Base-Base interactions energy: -273.904 where: short stacking energy: -193.053 Base-Backbone interact. energy: -1.639 local terms energy: -352.171204 where: bonds (distance) C4'-P energy: -108.727 bonds (distance) P-C4' energy: -106.408 flat angles C4'-P-C4' energy: -79.504 flat angles P-C4'-P energy: -52.141 tors. eta vs tors. theta energy: -5.390 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 276 Temperature: 1.350000 Total energy: -490.447822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -490.447822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -490.447822 (E_RNA) where: Base-Base interactions energy: -146.624 where: short stacking energy: -111.503 Base-Backbone interact. energy: -2.036 local terms energy: -341.788557 where: bonds (distance) C4'-P energy: -110.996 bonds (distance) P-C4' energy: -114.686 flat angles C4'-P-C4' energy: -81.253 flat angles P-C4'-P energy: -75.422 tors. eta vs tors. theta energy: 40.569 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: 7 ===================================== Write number: 277 Temperature: 0.900000 Total energy: -2242.213196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2242.213196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2242.213196 (E_RNA) where: Base-Base interactions energy: -1512.381 where: short stacking energy: -615.011 Base-Backbone interact. energy: -3.154 local terms energy: -726.677466 where: bonds (distance) C4'-P energy: -130.933 bonds (distance) P-C4' energy: -144.038 flat angles C4'-P-C4' energy: -142.860 flat angles P-C4'-P energy: -109.461 tors. eta vs tors. theta energy: -199.386 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 277 Temperature: 0.950000 Total energy: -2250.880915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2250.880915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2250.880915 (E_RNA) where: Base-Base interactions energy: -1517.155 where: short stacking energy: -616.201 Base-Backbone interact. energy: 0.777 local terms energy: -734.502769 where: bonds (distance) C4'-P energy: -152.821 bonds (distance) P-C4' energy: -138.643 flat angles C4'-P-C4' energy: -144.049 flat angles P-C4'-P energy: -99.780 tors. eta vs tors. theta energy: -199.211 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 277 Temperature: 1.000000 Total energy: -2082.757358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2082.757358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2082.757358 (E_RNA) where: Base-Base interactions energy: -1395.683 where: short stacking energy: -586.922 Base-Backbone interact. energy: 0.156 local terms energy: -687.230065 where: bonds (distance) C4'-P energy: -127.200 bonds (distance) P-C4' energy: -119.867 flat angles C4'-P-C4' energy: -155.343 flat angles P-C4'-P energy: -105.348 tors. eta vs tors. theta energy: -179.472 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 277 Temperature: 1.050000 Total energy: -1860.100361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1860.100361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1860.100361 (E_RNA) where: Base-Base interactions energy: -1264.914 where: short stacking energy: -516.830 Base-Backbone interact. energy: 2.276 local terms energy: -597.462713 where: bonds (distance) C4'-P energy: -111.967 bonds (distance) P-C4' energy: -109.185 flat angles C4'-P-C4' energy: -136.144 flat angles P-C4'-P energy: -88.252 tors. eta vs tors. theta energy: -151.917 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 277 Temperature: 1.100000 Total energy: -1910.931204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1910.931204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1910.931204 (E_RNA) where: Base-Base interactions energy: -1280.403 where: short stacking energy: -538.030 Base-Backbone interact. energy: -0.256 local terms energy: -630.271421 where: bonds (distance) C4'-P energy: -118.413 bonds (distance) P-C4' energy: -130.212 flat angles C4'-P-C4' energy: -143.459 flat angles P-C4'-P energy: -81.977 tors. eta vs tors. theta energy: -156.210 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 277 Temperature: 1.150000 Total energy: -1664.063356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1664.063356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1664.063356 (E_RNA) where: Base-Base interactions energy: -1065.924 where: short stacking energy: -464.360 Base-Backbone interact. energy: -1.776 local terms energy: -596.363371 where: bonds (distance) C4'-P energy: -126.152 bonds (distance) P-C4' energy: -109.864 flat angles C4'-P-C4' energy: -123.616 flat angles P-C4'-P energy: -90.290 tors. eta vs tors. theta energy: -146.441 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 277 Temperature: 1.200000 Total energy: -1037.031874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1037.031874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1037.031874 (E_RNA) where: Base-Base interactions energy: -557.416 where: short stacking energy: -262.124 Base-Backbone interact. energy: -1.847 local terms energy: -477.769142 where: bonds (distance) C4'-P energy: -117.500 bonds (distance) P-C4' energy: -120.097 flat angles C4'-P-C4' energy: -121.038 flat angles P-C4'-P energy: -73.560 tors. eta vs tors. theta energy: -45.575 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 277 Temperature: 1.250000 Total energy: -857.043997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -857.043997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -857.043997 (E_RNA) where: Base-Base interactions energy: -467.249 where: short stacking energy: -227.275 Base-Backbone interact. energy: 0.628 local terms energy: -390.423831 where: bonds (distance) C4'-P energy: -114.837 bonds (distance) P-C4' energy: -110.953 flat angles C4'-P-C4' energy: -100.738 flat angles P-C4'-P energy: -44.357 tors. eta vs tors. theta energy: -19.538 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 277 Temperature: 1.300000 Total energy: -639.895067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -639.895067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -639.895067 (E_RNA) where: Base-Base interactions energy: -295.430 where: short stacking energy: -172.026 Base-Backbone interact. energy: -0.968 local terms energy: -343.497107 where: bonds (distance) C4'-P energy: -87.624 bonds (distance) P-C4' energy: -114.158 flat angles C4'-P-C4' energy: -95.197 flat angles P-C4'-P energy: -60.635 tors. eta vs tors. theta energy: 14.116 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: 4 ===================================== Write number: 277 Temperature: 1.350000 Total energy: -472.710359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -472.710359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -472.710359 (E_RNA) where: Base-Base interactions energy: -165.689 where: short stacking energy: -123.495 Base-Backbone interact. energy: 2.897 local terms energy: -309.918935 where: bonds (distance) C4'-P energy: -118.630 bonds (distance) P-C4' energy: -111.373 flat angles C4'-P-C4' energy: -83.662 flat angles P-C4'-P energy: -39.192 tors. eta vs tors. theta energy: 42.938 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: 1, replica: 2 ===================================== Write number: 278 Temperature: 0.900000 Total energy: -2274.161994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2274.161994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2274.161994 (E_RNA) where: Base-Base interactions energy: -1571.647 where: short stacking energy: -652.939 Base-Backbone interact. energy: -2.560 local terms energy: -699.955142 where: bonds (distance) C4'-P energy: -120.151 bonds (distance) P-C4' energy: -126.152 flat angles C4'-P-C4' energy: -141.145 flat angles P-C4'-P energy: -102.615 tors. eta vs tors. theta energy: -209.893 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 278 Temperature: 0.950000 Total energy: -2207.021246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2207.021246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2207.021246 (E_RNA) where: Base-Base interactions energy: -1498.388 where: short stacking energy: -608.334 Base-Backbone interact. energy: -1.892 local terms energy: -706.741146 where: bonds (distance) C4'-P energy: -123.299 bonds (distance) P-C4' energy: -130.757 flat angles C4'-P-C4' energy: -140.427 flat angles P-C4'-P energy: -103.579 tors. eta vs tors. theta energy: -208.679 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 278 Temperature: 1.000000 Total energy: -2070.810296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2070.810296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2070.810296 (E_RNA) where: Base-Base interactions energy: -1395.206 where: short stacking energy: -588.198 Base-Backbone interact. energy: -1.947 local terms energy: -673.656666 where: bonds (distance) C4'-P energy: -120.531 bonds (distance) P-C4' energy: -121.978 flat angles C4'-P-C4' energy: -159.129 flat angles P-C4'-P energy: -87.987 tors. eta vs tors. theta energy: -184.032 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: 8 ===================================== Write number: 278 Temperature: 1.050000 Total energy: -1867.678498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1867.678498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1867.678498 (E_RNA) where: Base-Base interactions energy: -1247.447 where: short stacking energy: -517.864 Base-Backbone interact. energy: -1.161 local terms energy: -619.070280 where: bonds (distance) C4'-P energy: -123.465 bonds (distance) P-C4' energy: -131.501 flat angles C4'-P-C4' energy: -129.735 flat angles P-C4'-P energy: -77.527 tors. eta vs tors. theta energy: -156.842 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 278 Temperature: 1.100000 Total energy: -1883.957204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1883.957204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1883.957204 (E_RNA) where: Base-Base interactions energy: -1276.520 where: short stacking energy: -541.023 Base-Backbone interact. energy: -3.803 local terms energy: -603.634124 where: bonds (distance) C4'-P energy: -101.390 bonds (distance) P-C4' energy: -107.041 flat angles C4'-P-C4' energy: -129.868 flat angles P-C4'-P energy: -91.872 tors. eta vs tors. theta energy: -173.463 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: 6, replica: 6 ===================================== Write number: 278 Temperature: 1.150000 Total energy: -1689.848524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1689.848524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1689.848524 (E_RNA) where: Base-Base interactions energy: -1112.088 where: short stacking energy: -498.544 Base-Backbone interact. energy: -0.821 local terms energy: -576.938834 where: bonds (distance) C4'-P energy: -114.325 bonds (distance) P-C4' energy: -112.340 flat angles C4'-P-C4' energy: -121.217 flat angles P-C4'-P energy: -79.915 tors. eta vs tors. theta energy: -149.142 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: 7, replica: 1 ===================================== Write number: 278 Temperature: 1.200000 Total energy: -1077.277694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1077.277694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1077.277694 (E_RNA) where: Base-Base interactions energy: -657.174 where: short stacking energy: -255.646 Base-Backbone interact. energy: -3.441 local terms energy: -416.662597 where: bonds (distance) C4'-P energy: -100.776 bonds (distance) P-C4' energy: -114.027 flat angles C4'-P-C4' energy: -107.508 flat angles P-C4'-P energy: -55.926 tors. eta vs tors. theta energy: -38.425 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 278 Temperature: 1.250000 Total energy: -855.842520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -855.842520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -855.842520 (E_RNA) where: Base-Base interactions energy: -478.089 where: short stacking energy: -237.164 Base-Backbone interact. energy: -3.874 local terms energy: -373.879196 where: bonds (distance) C4'-P energy: -110.379 bonds (distance) P-C4' energy: -102.783 flat angles C4'-P-C4' energy: -89.709 flat angles P-C4'-P energy: -59.659 tors. eta vs tors. theta energy: -11.350 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 278 Temperature: 1.300000 Total energy: -677.816919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -677.816919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -677.816919 (E_RNA) where: Base-Base interactions energy: -273.928 where: short stacking energy: -175.124 Base-Backbone interact. energy: -5.262 local terms energy: -398.626622 where: bonds (distance) C4'-P energy: -109.186 bonds (distance) P-C4' energy: -117.213 flat angles C4'-P-C4' energy: -111.087 flat angles P-C4'-P energy: -57.046 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: 10, replica: 4 ===================================== Write number: 278 Temperature: 1.350000 Total energy: -539.743437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -539.743437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -539.743437 (E_RNA) where: Base-Base interactions energy: -202.958 where: short stacking energy: -114.948 Base-Backbone interact. energy: -2.174 local terms energy: -334.611173 where: bonds (distance) C4'-P energy: -106.481 bonds (distance) P-C4' energy: -114.467 flat angles C4'-P-C4' energy: -87.727 flat angles P-C4'-P energy: -48.642 tors. eta vs tors. theta energy: 22.706 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: 2 ===================================== Write number: 279 Temperature: 0.900000 Total energy: -2302.466636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2302.466636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2302.466636 (E_RNA) where: Base-Base interactions energy: -1553.244 where: short stacking energy: -628.737 Base-Backbone interact. energy: -2.642 local terms energy: -746.580598 where: bonds (distance) C4'-P energy: -130.658 bonds (distance) P-C4' energy: -136.979 flat angles C4'-P-C4' energy: -152.993 flat angles P-C4'-P energy: -116.313 tors. eta vs tors. theta energy: -209.638 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: 7 ===================================== Write number: 279 Temperature: 0.950000 Total energy: -2221.652203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2221.652203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2221.652203 (E_RNA) where: Base-Base interactions energy: -1508.971 where: short stacking energy: -652.773 Base-Backbone interact. energy: -1.527 local terms energy: -711.154386 where: bonds (distance) C4'-P energy: -136.918 bonds (distance) P-C4' energy: -126.304 flat angles C4'-P-C4' energy: -147.472 flat angles P-C4'-P energy: -100.332 tors. eta vs tors. theta energy: -200.129 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 279 Temperature: 1.000000 Total energy: -2118.424646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2118.424646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2118.424646 (E_RNA) where: Base-Base interactions energy: -1441.446 where: short stacking energy: -597.963 Base-Backbone interact. energy: -4.392 local terms energy: -672.586547 where: bonds (distance) C4'-P energy: -131.418 bonds (distance) P-C4' energy: -115.827 flat angles C4'-P-C4' energy: -145.078 flat angles P-C4'-P energy: -92.103 tors. eta vs tors. theta energy: -188.160 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 279 Temperature: 1.050000 Total energy: -1884.004829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1884.004829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1884.004829 (E_RNA) where: Base-Base interactions energy: -1266.857 where: short stacking energy: -554.156 Base-Backbone interact. energy: -3.396 local terms energy: -613.751201 where: bonds (distance) C4'-P energy: -110.201 bonds (distance) P-C4' energy: -117.681 flat angles C4'-P-C4' energy: -140.243 flat angles P-C4'-P energy: -87.675 tors. eta vs tors. theta energy: -157.951 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 279 Temperature: 1.100000 Total energy: -1870.853208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1870.853208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1870.853208 (E_RNA) where: Base-Base interactions energy: -1242.153 where: short stacking energy: -516.563 Base-Backbone interact. energy: 2.624 local terms energy: -631.323654 where: bonds (distance) C4'-P energy: -128.134 bonds (distance) P-C4' energy: -119.433 flat angles C4'-P-C4' energy: -129.035 flat angles P-C4'-P energy: -87.425 tors. eta vs tors. theta energy: -167.297 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: 6 ===================================== Write number: 279 Temperature: 1.150000 Total energy: -1701.128043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1701.128043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1701.128043 (E_RNA) where: Base-Base interactions energy: -1119.922 where: short stacking energy: -475.129 Base-Backbone interact. energy: 2.136 local terms energy: -583.341884 where: bonds (distance) C4'-P energy: -99.697 bonds (distance) P-C4' energy: -112.726 flat angles C4'-P-C4' energy: -130.759 flat angles P-C4'-P energy: -90.983 tors. eta vs tors. theta energy: -149.176 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 279 Temperature: 1.200000 Total energy: -1134.413670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1134.413670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1134.413670 (E_RNA) where: Base-Base interactions energy: -646.207 where: short stacking energy: -287.307 Base-Backbone interact. energy: 2.919 local terms energy: -491.125204 where: bonds (distance) C4'-P energy: -117.104 bonds (distance) P-C4' energy: -118.744 flat angles C4'-P-C4' energy: -119.802 flat angles P-C4'-P energy: -76.405 tors. eta vs tors. theta energy: -59.072 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 279 Temperature: 1.250000 Total energy: -841.756376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -841.756376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -841.756376 (E_RNA) where: Base-Base interactions energy: -467.315 where: short stacking energy: -227.792 Base-Backbone interact. energy: 2.799 local terms energy: -377.240373 where: bonds (distance) C4'-P energy: -103.989 bonds (distance) P-C4' energy: -114.524 flat angles C4'-P-C4' energy: -98.608 flat angles P-C4'-P energy: -40.168 tors. eta vs tors. theta energy: -19.950 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 279 Temperature: 1.300000 Total energy: -658.826945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -658.826945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -658.826945 (E_RNA) where: Base-Base interactions energy: -272.939 where: short stacking energy: -173.661 Base-Backbone interact. energy: -2.845 local terms energy: -383.042864 where: bonds (distance) C4'-P energy: -104.613 bonds (distance) P-C4' energy: -121.517 flat angles C4'-P-C4' energy: -101.475 flat angles P-C4'-P energy: -59.117 tors. eta vs tors. theta energy: 3.680 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: 10, replica: 4 ===================================== Write number: 279 Temperature: 1.350000 Total energy: -481.713091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -481.713091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -481.713091 (E_RNA) where: Base-Base interactions energy: -157.683 where: short stacking energy: -101.629 Base-Backbone interact. energy: 2.231 local terms energy: -326.261559 where: bonds (distance) C4'-P energy: -106.391 bonds (distance) P-C4' energy: -104.844 flat angles C4'-P-C4' energy: -84.644 flat angles P-C4'-P energy: -58.918 tors. eta vs tors. theta energy: 28.534 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: 1, replica: 2 ===================================== Write number: 280 Temperature: 0.900000 Total energy: -2294.868476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2294.868476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2294.868476 (E_RNA) where: Base-Base interactions energy: -1556.962 where: short stacking energy: -642.822 Base-Backbone interact. energy: -3.163 local terms energy: -734.743853 where: bonds (distance) C4'-P energy: -132.716 bonds (distance) P-C4' energy: -137.866 flat angles C4'-P-C4' energy: -150.187 flat angles P-C4'-P energy: -99.442 tors. eta vs tors. theta energy: -214.533 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 280 Temperature: 0.950000 Total energy: -2220.203085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2220.203085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2220.203085 (E_RNA) where: Base-Base interactions energy: -1511.770 where: short stacking energy: -640.714 Base-Backbone interact. energy: -0.935 local terms energy: -707.498234 where: bonds (distance) C4'-P energy: -129.105 bonds (distance) P-C4' energy: -127.118 flat angles C4'-P-C4' energy: -155.478 flat angles P-C4'-P energy: -89.727 tors. eta vs tors. theta energy: -206.070 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 280 Temperature: 1.000000 Total energy: -2113.775018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2113.775018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2113.775018 (E_RNA) where: Base-Base interactions energy: -1457.892 where: short stacking energy: -595.731 Base-Backbone interact. energy: -4.791 local terms energy: -651.092766 where: bonds (distance) C4'-P energy: -107.030 bonds (distance) P-C4' energy: -119.669 flat angles C4'-P-C4' energy: -136.781 flat angles P-C4'-P energy: -110.289 tors. eta vs tors. theta energy: -177.324 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: 8 ===================================== Write number: 280 Temperature: 1.050000 Total energy: -1911.824175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1911.824175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1911.824175 (E_RNA) where: Base-Base interactions energy: -1298.204 where: short stacking energy: -518.788 Base-Backbone interact. energy: -2.530 local terms energy: -611.089724 where: bonds (distance) C4'-P energy: -105.763 bonds (distance) P-C4' energy: -115.917 flat angles C4'-P-C4' energy: -142.286 flat angles P-C4'-P energy: -95.346 tors. eta vs tors. theta energy: -151.778 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 280 Temperature: 1.100000 Total energy: -1857.597896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1857.597896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1857.597896 (E_RNA) where: Base-Base interactions energy: -1262.082 where: short stacking energy: -519.294 Base-Backbone interact. energy: 1.242 local terms energy: -596.758071 where: bonds (distance) C4'-P energy: -125.918 bonds (distance) P-C4' energy: -115.754 flat angles C4'-P-C4' energy: -128.331 flat angles P-C4'-P energy: -80.009 tors. eta vs tors. theta energy: -146.746 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 280 Temperature: 1.150000 Total energy: -1712.035679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1712.035679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1712.035679 (E_RNA) where: Base-Base interactions energy: -1119.498 where: short stacking energy: -475.098 Base-Backbone interact. energy: 0.200 local terms energy: -592.737657 where: bonds (distance) C4'-P energy: -110.484 bonds (distance) P-C4' energy: -117.122 flat angles C4'-P-C4' energy: -145.182 flat angles P-C4'-P energy: -87.409 tors. eta vs tors. theta energy: -132.541 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 280 Temperature: 1.200000 Total energy: -1108.554255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1108.554255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1108.554255 (E_RNA) where: Base-Base interactions energy: -657.952 where: short stacking energy: -329.753 Base-Backbone interact. energy: -2.957 local terms energy: -447.645392 where: bonds (distance) C4'-P energy: -101.379 bonds (distance) P-C4' energy: -89.134 flat angles C4'-P-C4' energy: -111.727 flat angles P-C4'-P energy: -84.330 tors. eta vs tors. theta energy: -61.075 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: 3 ===================================== Write number: 280 Temperature: 1.250000 Total energy: -861.907279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -861.907279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -861.907279 (E_RNA) where: Base-Base interactions energy: -450.853 where: short stacking energy: -233.262 Base-Backbone interact. energy: -0.271 local terms energy: -410.782426 where: bonds (distance) C4'-P energy: -124.434 bonds (distance) P-C4' energy: -111.957 flat angles C4'-P-C4' energy: -105.602 flat angles P-C4'-P energy: -60.648 tors. eta vs tors. theta energy: -8.142 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 280 Temperature: 1.300000 Total energy: -656.068041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -656.068041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -656.068041 (E_RNA) where: Base-Base interactions energy: -294.966 where: short stacking energy: -185.212 Base-Backbone interact. energy: 2.912 local terms energy: -364.014361 where: bonds (distance) C4'-P energy: -107.648 bonds (distance) P-C4' energy: -124.566 flat angles C4'-P-C4' energy: -85.065 flat angles P-C4'-P energy: -48.083 tors. eta vs tors. theta energy: 1.349 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 280 Temperature: 1.350000 Total energy: -491.254977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -491.254977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -491.254977 (E_RNA) where: Base-Base interactions energy: -198.472 where: short stacking energy: -121.157 Base-Backbone interact. energy: 4.098 local terms energy: -296.880585 where: bonds (distance) C4'-P energy: -96.960 bonds (distance) P-C4' energy: -96.962 flat angles C4'-P-C4' energy: -71.684 flat angles P-C4'-P energy: -55.656 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: 1, replica: 2 ===================================== Write number: 281 Temperature: 0.900000 Total energy: -2336.164857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2336.164857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2336.164857 (E_RNA) where: Base-Base interactions energy: -1595.459 where: short stacking energy: -657.890 Base-Backbone interact. energy: -1.863 local terms energy: -738.842182 where: bonds (distance) C4'-P energy: -134.125 bonds (distance) P-C4' energy: -128.828 flat angles C4'-P-C4' energy: -157.832 flat angles P-C4'-P energy: -98.677 tors. eta vs tors. theta energy: -219.380 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: 5 ===================================== Write number: 281 Temperature: 0.950000 Total energy: -2151.051267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2151.051267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2151.051267 (E_RNA) where: Base-Base interactions energy: -1473.588 where: short stacking energy: -611.609 Base-Backbone interact. energy: -5.945 local terms energy: -671.517360 where: bonds (distance) C4'-P energy: -122.167 bonds (distance) P-C4' energy: -125.336 flat angles C4'-P-C4' energy: -147.514 flat angles P-C4'-P energy: -97.577 tors. eta vs tors. theta energy: -178.924 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: 7 ===================================== Write number: 281 Temperature: 1.000000 Total energy: -2140.495787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2140.495787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2140.495787 (E_RNA) where: Base-Base interactions energy: -1463.721 where: short stacking energy: -600.690 Base-Backbone interact. energy: 2.267 local terms energy: -679.042292 where: bonds (distance) C4'-P energy: -131.671 bonds (distance) P-C4' energy: -128.195 flat angles C4'-P-C4' energy: -146.698 flat angles P-C4'-P energy: -74.864 tors. eta vs tors. theta energy: -197.613 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 281 Temperature: 1.050000 Total energy: -1959.767338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1959.767338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1959.767338 (E_RNA) where: Base-Base interactions energy: -1342.554 where: short stacking energy: -535.755 Base-Backbone interact. energy: -2.723 local terms energy: -614.490424 where: bonds (distance) C4'-P energy: -104.463 bonds (distance) P-C4' energy: -125.404 flat angles C4'-P-C4' energy: -127.463 flat angles P-C4'-P energy: -75.920 tors. eta vs tors. theta energy: -181.240 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 281 Temperature: 1.100000 Total energy: -1832.121811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1832.121811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1832.121811 (E_RNA) where: Base-Base interactions energy: -1228.297 where: short stacking energy: -496.248 Base-Backbone interact. energy: -0.792 local terms energy: -603.161972 where: bonds (distance) C4'-P energy: -112.836 bonds (distance) P-C4' energy: -122.249 flat angles C4'-P-C4' energy: -126.197 flat angles P-C4'-P energy: -92.831 tors. eta vs tors. theta energy: -149.049 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.129 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 281 Temperature: 1.150000 Total energy: -1683.222193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1683.222193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1683.222193 (E_RNA) where: Base-Base interactions energy: -1082.417 where: short stacking energy: -487.274 Base-Backbone interact. energy: 1.356 local terms energy: -602.160253 where: bonds (distance) C4'-P energy: -114.586 bonds (distance) P-C4' energy: -118.910 flat angles C4'-P-C4' energy: -126.491 flat angles P-C4'-P energy: -88.738 tors. eta vs tors. theta energy: -153.434 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 281 Temperature: 1.200000 Total energy: -1146.122717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1146.122717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1146.122717 (E_RNA) where: Base-Base interactions energy: -682.708 where: short stacking energy: -314.754 Base-Backbone interact. energy: -0.909 local terms energy: -462.505549 where: bonds (distance) C4'-P energy: -107.786 bonds (distance) P-C4' energy: -122.238 flat angles C4'-P-C4' energy: -114.316 flat angles P-C4'-P energy: -63.009 tors. eta vs tors. theta energy: -55.156 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: 3 ===================================== Write number: 281 Temperature: 1.250000 Total energy: -872.833550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -872.833550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -872.833550 (E_RNA) where: Base-Base interactions energy: -463.003 where: short stacking energy: -211.785 Base-Backbone interact. energy: -0.459 local terms energy: -409.371520 where: bonds (distance) C4'-P energy: -115.935 bonds (distance) P-C4' energy: -110.613 flat angles C4'-P-C4' energy: -106.778 flat angles P-C4'-P energy: -72.332 tors. eta vs tors. theta energy: -3.713 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 281 Temperature: 1.300000 Total energy: -649.921648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -649.921648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -649.921648 (E_RNA) where: Base-Base interactions energy: -308.511 where: short stacking energy: -171.551 Base-Backbone interact. energy: -2.782 local terms energy: -338.628596 where: bonds (distance) C4'-P energy: -100.651 bonds (distance) P-C4' energy: -117.724 flat angles C4'-P-C4' energy: -93.375 flat angles P-C4'-P energy: -46.229 tors. eta vs tors. theta energy: 19.351 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: 281 Temperature: 1.350000 Total energy: -549.517691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -549.517691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -549.517691 (E_RNA) where: Base-Base interactions energy: -213.135 where: short stacking energy: -131.314 Base-Backbone interact. energy: 2.111 local terms energy: -338.493436 where: bonds (distance) C4'-P energy: -111.402 bonds (distance) P-C4' energy: -111.394 flat angles C4'-P-C4' energy: -86.772 flat angles P-C4'-P energy: -48.317 tors. eta vs tors. theta energy: 19.390 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 282 Temperature: 0.900000 Total energy: -2301.429514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2301.429514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2301.429514 (E_RNA) where: Base-Base interactions energy: -1559.300 where: short stacking energy: -676.828 Base-Backbone interact. energy: -0.645 local terms energy: -741.484405 where: bonds (distance) C4'-P energy: -120.368 bonds (distance) P-C4' energy: -148.920 flat angles C4'-P-C4' energy: -157.890 flat angles P-C4'-P energy: -99.720 tors. eta vs tors. theta energy: -214.586 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 282 Temperature: 0.950000 Total energy: -2162.840330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2162.840330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2162.840330 (E_RNA) where: Base-Base interactions energy: -1482.628 where: short stacking energy: -609.814 Base-Backbone interact. energy: -4.137 local terms energy: -676.076002 where: bonds (distance) C4'-P energy: -130.103 bonds (distance) P-C4' energy: -139.793 flat angles C4'-P-C4' energy: -135.599 flat angles P-C4'-P energy: -94.459 tors. eta vs tors. theta energy: -176.123 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 282 Temperature: 1.000000 Total energy: -2124.020200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2124.020200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2124.020200 (E_RNA) where: Base-Base interactions energy: -1447.115 where: short stacking energy: -594.483 Base-Backbone interact. energy: -2.643 local terms energy: -674.262373 where: bonds (distance) C4'-P energy: -130.382 bonds (distance) P-C4' energy: -135.710 flat angles C4'-P-C4' energy: -141.589 flat angles P-C4'-P energy: -78.788 tors. eta vs tors. theta energy: -187.793 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: 10 ===================================== Write number: 282 Temperature: 1.050000 Total energy: -1918.263812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1918.263812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1918.263812 (E_RNA) where: Base-Base interactions energy: -1296.475 where: short stacking energy: -537.409 Base-Backbone interact. energy: -3.070 local terms energy: -618.718542 where: bonds (distance) C4'-P energy: -127.284 bonds (distance) P-C4' energy: -115.393 flat angles C4'-P-C4' energy: -128.807 flat angles P-C4'-P energy: -77.375 tors. eta vs tors. theta energy: -169.860 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: 5, replica: 8 ===================================== Write number: 282 Temperature: 1.100000 Total energy: -1833.303674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1833.303674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1833.303674 (E_RNA) where: Base-Base interactions energy: -1276.618 where: short stacking energy: -517.018 Base-Backbone interact. energy: -2.232 local terms energy: -554.453586 where: bonds (distance) C4'-P energy: -112.093 bonds (distance) P-C4' energy: -99.089 flat angles C4'-P-C4' energy: -132.178 flat angles P-C4'-P energy: -73.901 tors. eta vs tors. theta energy: -137.193 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: 6 ===================================== Write number: 282 Temperature: 1.150000 Total energy: -1698.862385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1698.862385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1698.862385 (E_RNA) where: Base-Base interactions energy: -1104.070 where: short stacking energy: -460.953 Base-Backbone interact. energy: -3.735 local terms energy: -591.058213 where: bonds (distance) C4'-P energy: -127.246 bonds (distance) P-C4' energy: -111.361 flat angles C4'-P-C4' energy: -124.413 flat angles P-C4'-P energy: -86.610 tors. eta vs tors. theta energy: -141.429 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: 1 ===================================== Write number: 282 Temperature: 1.200000 Total energy: -1113.615307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1113.615307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1113.615307 (E_RNA) where: Base-Base interactions energy: -651.078 where: short stacking energy: -290.930 Base-Backbone interact. energy: 3.069 local terms energy: -465.606406 where: bonds (distance) C4'-P energy: -109.108 bonds (distance) P-C4' energy: -111.042 flat angles C4'-P-C4' energy: -125.688 flat angles P-C4'-P energy: -84.640 tors. eta vs tors. theta energy: -35.128 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 282 Temperature: 1.250000 Total energy: -816.141004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -816.141004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -816.141004 (E_RNA) where: Base-Base interactions energy: -406.611 where: short stacking energy: -224.993 Base-Backbone interact. energy: 2.294 local terms energy: -411.824029 where: bonds (distance) C4'-P energy: -99.743 bonds (distance) P-C4' energy: -115.910 flat angles C4'-P-C4' energy: -111.280 flat angles P-C4'-P energy: -71.567 tors. eta vs tors. theta energy: -13.324 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 282 Temperature: 1.300000 Total energy: -726.158746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -726.158746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -726.158746 (E_RNA) where: Base-Base interactions energy: -376.672 where: short stacking energy: -200.244 Base-Backbone interact. energy: -3.108 local terms energy: -346.378834 where: bonds (distance) C4'-P energy: -101.878 bonds (distance) P-C4' energy: -103.444 flat angles C4'-P-C4' energy: -89.946 flat angles P-C4'-P energy: -42.937 tors. eta vs tors. theta energy: -8.173 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: 10, replica: 4 ===================================== Write number: 282 Temperature: 1.350000 Total energy: -545.134304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -545.134304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -545.134304 (E_RNA) where: Base-Base interactions energy: -214.924 where: short stacking energy: -139.120 Base-Backbone interact. energy: 0.336 local terms energy: -330.545881 where: bonds (distance) C4'-P energy: -96.367 bonds (distance) P-C4' energy: -100.580 flat angles C4'-P-C4' energy: -88.071 flat angles P-C4'-P energy: -64.476 tors. eta vs tors. theta energy: 18.948 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: 2 ===================================== Write number: 283 Temperature: 0.900000 Total energy: -2328.483376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2328.483376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2328.483376 (E_RNA) where: Base-Base interactions energy: -1587.449 where: short stacking energy: -652.142 Base-Backbone interact. energy: -0.537 local terms energy: -740.497132 where: bonds (distance) C4'-P energy: -131.109 bonds (distance) P-C4' energy: -139.449 flat angles C4'-P-C4' energy: -157.002 flat angles P-C4'-P energy: -106.967 tors. eta vs tors. theta energy: -205.970 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 283 Temperature: 0.950000 Total energy: -2169.388301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2169.388301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2169.388301 (E_RNA) where: Base-Base interactions energy: -1464.228 where: short stacking energy: -598.838 Base-Backbone interact. energy: -1.140 local terms energy: -704.020112 where: bonds (distance) C4'-P energy: -135.105 bonds (distance) P-C4' energy: -124.615 flat angles C4'-P-C4' energy: -153.126 flat angles P-C4'-P energy: -109.673 tors. eta vs tors. theta energy: -181.501 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 283 Temperature: 1.000000 Total energy: -2119.179089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2119.179089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2119.179089 (E_RNA) where: Base-Base interactions energy: -1442.907 where: short stacking energy: -620.190 Base-Backbone interact. energy: -2.757 local terms energy: -673.515065 where: bonds (distance) C4'-P energy: -115.236 bonds (distance) P-C4' energy: -132.083 flat angles C4'-P-C4' energy: -132.851 flat angles P-C4'-P energy: -87.751 tors. eta vs tors. theta energy: -205.595 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 283 Temperature: 1.050000 Total energy: -1954.483647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1954.483647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1954.483647 (E_RNA) where: Base-Base interactions energy: -1328.322 where: short stacking energy: -548.661 Base-Backbone interact. energy: -2.894 local terms energy: -623.267204 where: bonds (distance) C4'-P energy: -110.805 bonds (distance) P-C4' energy: -125.996 flat angles C4'-P-C4' energy: -145.711 flat angles P-C4'-P energy: -78.195 tors. eta vs tors. theta energy: -162.561 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 283 Temperature: 1.100000 Total energy: -1843.251375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1843.251375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1843.251375 (E_RNA) where: Base-Base interactions energy: -1224.523 where: short stacking energy: -519.910 Base-Backbone interact. energy: -0.014 local terms energy: -618.713794 where: bonds (distance) C4'-P energy: -116.907 bonds (distance) P-C4' energy: -130.388 flat angles C4'-P-C4' energy: -138.167 flat angles P-C4'-P energy: -79.084 tors. eta vs tors. theta energy: -154.167 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 283 Temperature: 1.150000 Total energy: -1722.967703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1722.967703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1722.967703 (E_RNA) where: Base-Base interactions energy: -1139.340 where: short stacking energy: -460.886 Base-Backbone interact. energy: -4.699 local terms energy: -578.928037 where: bonds (distance) C4'-P energy: -109.385 bonds (distance) P-C4' energy: -113.225 flat angles C4'-P-C4' energy: -127.786 flat angles P-C4'-P energy: -84.984 tors. eta vs tors. theta energy: -143.547 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: 7, replica: 1 ===================================== Write number: 283 Temperature: 1.200000 Total energy: -1153.197577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1153.197577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1153.197577 (E_RNA) where: Base-Base interactions energy: -666.210 where: short stacking energy: -319.658 Base-Backbone interact. energy: -0.029 local terms energy: -486.958141 where: bonds (distance) C4'-P energy: -114.073 bonds (distance) P-C4' energy: -114.467 flat angles C4'-P-C4' energy: -114.767 flat angles P-C4'-P energy: -76.857 tors. eta vs tors. theta energy: -66.793 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 283 Temperature: 1.250000 Total energy: -885.051802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -885.051802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -885.051802 (E_RNA) where: Base-Base interactions energy: -483.912 where: short stacking energy: -231.582 Base-Backbone interact. energy: -3.562 local terms energy: -397.577657 where: bonds (distance) C4'-P energy: -104.129 bonds (distance) P-C4' energy: -110.789 flat angles C4'-P-C4' energy: -107.357 flat angles P-C4'-P energy: -60.312 tors. eta vs tors. theta energy: -14.990 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 283 Temperature: 1.300000 Total energy: -704.427683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -704.427683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -704.427683 (E_RNA) where: Base-Base interactions energy: -324.588 where: short stacking energy: -164.242 Base-Backbone interact. energy: -2.482 local terms energy: -377.357528 where: bonds (distance) C4'-P energy: -97.742 bonds (distance) P-C4' energy: -120.826 flat angles C4'-P-C4' energy: -85.323 flat angles P-C4'-P energy: -73.706 tors. eta vs tors. theta energy: 0.240 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 283 Temperature: 1.350000 Total energy: -522.237940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -522.237940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -522.237940 (E_RNA) where: Base-Base interactions energy: -203.554 where: short stacking energy: -114.923 Base-Backbone interact. energy: 5.098 local terms energy: -323.782470 where: bonds (distance) C4'-P energy: -85.661 bonds (distance) P-C4' energy: -122.282 flat angles C4'-P-C4' energy: -81.187 flat angles P-C4'-P energy: -57.694 tors. eta vs tors. theta energy: 23.042 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: 1, replica: 2 ===================================== Write number: 284 Temperature: 0.900000 Total energy: -2332.531798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2332.531798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2332.531798 (E_RNA) where: Base-Base interactions energy: -1583.236 where: short stacking energy: -653.593 Base-Backbone interact. energy: 0.754 local terms energy: -750.050101 where: bonds (distance) C4'-P energy: -129.696 bonds (distance) P-C4' energy: -147.412 flat angles C4'-P-C4' energy: -155.673 flat angles P-C4'-P energy: -108.785 tors. eta vs tors. theta energy: -208.484 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 284 Temperature: 0.950000 Total energy: -2195.719481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2195.719481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2195.719481 (E_RNA) where: Base-Base interactions energy: -1519.303 where: short stacking energy: -644.974 Base-Backbone interact. energy: -3.535 local terms energy: -672.990288 where: bonds (distance) C4'-P energy: -128.257 bonds (distance) P-C4' energy: -139.482 flat angles C4'-P-C4' energy: -140.167 flat angles P-C4'-P energy: -77.754 tors. eta vs tors. theta energy: -187.330 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.109 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 284 Temperature: 1.000000 Total energy: -2134.147087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2134.147087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2134.147087 (E_RNA) where: Base-Base interactions energy: -1421.850 where: short stacking energy: -598.529 Base-Backbone interact. energy: 0.048 local terms energy: -712.345590 where: bonds (distance) C4'-P energy: -141.003 bonds (distance) P-C4' energy: -132.479 flat angles C4'-P-C4' energy: -157.030 flat angles P-C4'-P energy: -77.114 tors. eta vs tors. theta energy: -204.720 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 284 Temperature: 1.050000 Total energy: -1938.993403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1938.993403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1938.993403 (E_RNA) where: Base-Base interactions energy: -1320.278 where: short stacking energy: -540.028 Base-Backbone interact. energy: -4.489 local terms energy: -614.226350 where: bonds (distance) C4'-P energy: -116.407 bonds (distance) P-C4' energy: -114.691 flat angles C4'-P-C4' energy: -133.714 flat angles P-C4'-P energy: -82.856 tors. eta vs tors. theta energy: -166.559 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: 5, replica: 8 ===================================== Write number: 284 Temperature: 1.100000 Total energy: -1855.662880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1855.662880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1855.662880 (E_RNA) where: Base-Base interactions energy: -1247.611 where: short stacking energy: -502.789 Base-Backbone interact. energy: -4.343 local terms energy: -603.709284 where: bonds (distance) C4'-P energy: -126.285 bonds (distance) P-C4' energy: -113.619 flat angles C4'-P-C4' energy: -125.323 flat angles P-C4'-P energy: -81.520 tors. eta vs tors. theta energy: -156.962 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 284 Temperature: 1.150000 Total energy: -1674.996080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1674.996080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1674.996080 (E_RNA) where: Base-Base interactions energy: -1092.400 where: short stacking energy: -415.307 Base-Backbone interact. energy: -4.615 local terms energy: -577.980585 where: bonds (distance) C4'-P energy: -109.418 bonds (distance) P-C4' energy: -136.416 flat angles C4'-P-C4' energy: -117.111 flat angles P-C4'-P energy: -80.896 tors. eta vs tors. theta energy: -134.139 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: 1 ===================================== Write number: 284 Temperature: 1.200000 Total energy: -1173.207368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1173.207368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1173.207368 (E_RNA) where: Base-Base interactions energy: -697.728 where: short stacking energy: -304.695 Base-Backbone interact. energy: -0.536 local terms energy: -474.943372 where: bonds (distance) C4'-P energy: -109.170 bonds (distance) P-C4' energy: -122.739 flat angles C4'-P-C4' energy: -118.495 flat angles P-C4'-P energy: -68.937 tors. eta vs tors. theta energy: -55.603 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 284 Temperature: 1.250000 Total energy: -938.918978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -938.918978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -938.918978 (E_RNA) where: Base-Base interactions energy: -531.708 where: short stacking energy: -251.924 Base-Backbone interact. energy: 4.085 local terms energy: -411.296542 where: bonds (distance) C4'-P energy: -93.589 bonds (distance) P-C4' energy: -122.501 flat angles C4'-P-C4' energy: -95.638 flat angles P-C4'-P energy: -69.464 tors. eta vs tors. theta energy: -30.105 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: 9, replica: 9 ===================================== Write number: 284 Temperature: 1.300000 Total energy: -791.952219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -791.952219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -791.952219 (E_RNA) where: Base-Base interactions energy: -404.518 where: short stacking energy: -210.948 Base-Backbone interact. energy: 8.085 local terms energy: -395.518727 where: bonds (distance) C4'-P energy: -101.650 bonds (distance) P-C4' energy: -123.595 flat angles C4'-P-C4' energy: -87.796 flat angles P-C4'-P energy: -72.918 tors. eta vs tors. theta energy: -9.560 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 284 Temperature: 1.350000 Total energy: -507.421283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -507.421283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -507.421283 (E_RNA) where: Base-Base interactions energy: -175.282 where: short stacking energy: -129.187 Base-Backbone interact. energy: -2.213 local terms energy: -329.926801 where: bonds (distance) C4'-P energy: -97.041 bonds (distance) P-C4' energy: -106.291 flat angles C4'-P-C4' energy: -109.900 flat angles P-C4'-P energy: -51.815 tors. eta vs tors. theta energy: 35.120 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 285 Temperature: 0.900000 Total energy: -2285.637676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2285.637676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2285.637676 (E_RNA) where: Base-Base interactions energy: -1550.176 where: short stacking energy: -630.216 Base-Backbone interact. energy: -4.093 local terms energy: -731.368636 where: bonds (distance) C4'-P energy: -135.829 bonds (distance) P-C4' energy: -134.517 flat angles C4'-P-C4' energy: -153.723 flat angles P-C4'-P energy: -109.514 tors. eta vs tors. theta energy: -197.786 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 285 Temperature: 0.950000 Total energy: -2196.102375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2196.102375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2196.102375 (E_RNA) where: Base-Base interactions energy: -1507.198 where: short stacking energy: -638.444 Base-Backbone interact. energy: -3.076 local terms energy: -685.828338 where: bonds (distance) C4'-P energy: -117.799 bonds (distance) P-C4' energy: -125.130 flat angles C4'-P-C4' energy: -139.744 flat angles P-C4'-P energy: -105.025 tors. eta vs tors. theta energy: -198.131 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: 7 ===================================== Write number: 285 Temperature: 1.000000 Total energy: -2108.661899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2108.661899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2108.661899 (E_RNA) where: Base-Base interactions energy: -1430.637 where: short stacking energy: -627.190 Base-Backbone interact. energy: -3.437 local terms energy: -674.588150 where: bonds (distance) C4'-P energy: -115.187 bonds (distance) P-C4' energy: -138.345 flat angles C4'-P-C4' energy: -138.719 flat angles P-C4'-P energy: -85.731 tors. eta vs tors. theta energy: -196.606 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: 285 Temperature: 1.050000 Total energy: -1938.049021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1938.049021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1938.049021 (E_RNA) where: Base-Base interactions energy: -1318.417 where: short stacking energy: -531.246 Base-Backbone interact. energy: -3.469 local terms energy: -616.163181 where: bonds (distance) C4'-P energy: -117.467 bonds (distance) P-C4' energy: -126.778 flat angles C4'-P-C4' energy: -125.684 flat angles P-C4'-P energy: -78.417 tors. eta vs tors. theta energy: -167.818 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 285 Temperature: 1.100000 Total energy: -1905.353973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1905.353973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1905.353973 (E_RNA) where: Base-Base interactions energy: -1290.246 where: short stacking energy: -533.565 Base-Backbone interact. energy: 0.383 local terms energy: -615.491822 where: bonds (distance) C4'-P energy: -120.798 bonds (distance) P-C4' energy: -112.689 flat angles C4'-P-C4' energy: -135.874 flat angles P-C4'-P energy: -84.659 tors. eta vs tors. theta energy: -161.471 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 285 Temperature: 1.150000 Total energy: -1661.138475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1661.138475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1661.138475 (E_RNA) where: Base-Base interactions energy: -1073.947 where: short stacking energy: -480.249 Base-Backbone interact. energy: -1.522 local terms energy: -585.669138 where: bonds (distance) C4'-P energy: -119.224 bonds (distance) P-C4' energy: -109.309 flat angles C4'-P-C4' energy: -130.269 flat angles P-C4'-P energy: -82.560 tors. eta vs tors. theta energy: -144.307 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 285 Temperature: 1.200000 Total energy: -1195.865861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1195.865861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1195.865861 (E_RNA) where: Base-Base interactions energy: -735.463 where: short stacking energy: -317.414 Base-Backbone interact. energy: 1.024 local terms energy: -461.426645 where: bonds (distance) C4'-P energy: -120.274 bonds (distance) P-C4' energy: -106.223 flat angles C4'-P-C4' energy: -104.324 flat angles P-C4'-P energy: -78.333 tors. eta vs tors. theta energy: -52.273 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 285 Temperature: 1.250000 Total energy: -942.015102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -942.015102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -942.015102 (E_RNA) where: Base-Base interactions energy: -507.010 where: short stacking energy: -231.814 Base-Backbone interact. energy: -2.221 local terms energy: -432.784175 where: bonds (distance) C4'-P energy: -104.318 bonds (distance) P-C4' energy: -126.597 flat angles C4'-P-C4' energy: -115.173 flat angles P-C4'-P energy: -57.252 tors. eta vs tors. theta energy: -29.444 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: 9 ===================================== Write number: 285 Temperature: 1.300000 Total energy: -738.738182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -738.738182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -738.738182 (E_RNA) where: Base-Base interactions energy: -366.812 where: short stacking energy: -218.047 Base-Backbone interact. energy: 1.795 local terms energy: -373.721536 where: bonds (distance) C4'-P energy: -113.730 bonds (distance) P-C4' energy: -90.757 flat angles C4'-P-C4' energy: -104.217 flat angles P-C4'-P energy: -49.903 tors. eta vs tors. theta energy: -15.115 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 285 Temperature: 1.350000 Total energy: -513.532798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -513.532798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -513.532798 (E_RNA) where: Base-Base interactions energy: -187.661 where: short stacking energy: -139.694 Base-Backbone interact. energy: 5.011 local terms energy: -332.711960 where: bonds (distance) C4'-P energy: -92.687 bonds (distance) P-C4' energy: -106.410 flat angles C4'-P-C4' energy: -94.341 flat angles P-C4'-P energy: -55.068 tors. eta vs tors. theta energy: 15.795 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 1.829 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 286 Temperature: 0.900000 Total energy: -2274.154792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2274.154792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2274.154792 (E_RNA) where: Base-Base interactions energy: -1544.107 where: short stacking energy: -644.526 Base-Backbone interact. energy: -1.264 local terms energy: -728.784146 where: bonds (distance) C4'-P energy: -126.766 bonds (distance) P-C4' energy: -134.393 flat angles C4'-P-C4' energy: -161.546 flat angles P-C4'-P energy: -97.660 tors. eta vs tors. theta energy: -208.419 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: 2, replica: 5 ===================================== Write number: 286 Temperature: 0.950000 Total energy: -2172.552801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2172.552801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2172.552801 (E_RNA) where: Base-Base interactions energy: -1487.208 where: short stacking energy: -619.312 Base-Backbone interact. energy: -1.937 local terms energy: -683.407290 where: bonds (distance) C4'-P energy: -115.958 bonds (distance) P-C4' energy: -129.273 flat angles C4'-P-C4' energy: -151.455 flat angles P-C4'-P energy: -98.266 tors. eta vs tors. theta energy: -188.455 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 286 Temperature: 1.000000 Total energy: -2089.517030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2089.517030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2089.517030 (E_RNA) where: Base-Base interactions energy: -1438.139 where: short stacking energy: -603.210 Base-Backbone interact. energy: -0.404 local terms energy: -650.974199 where: bonds (distance) C4'-P energy: -111.212 bonds (distance) P-C4' energy: -123.388 flat angles C4'-P-C4' energy: -131.847 flat angles P-C4'-P energy: -89.349 tors. eta vs tors. theta energy: -195.179 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 286 Temperature: 1.050000 Total energy: -2002.515773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2002.515773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2002.515773 (E_RNA) where: Base-Base interactions energy: -1352.331 where: short stacking energy: -555.101 Base-Backbone interact. energy: -1.397 local terms energy: -648.787313 where: bonds (distance) C4'-P energy: -134.495 bonds (distance) P-C4' energy: -118.426 flat angles C4'-P-C4' energy: -135.930 flat angles P-C4'-P energy: -80.809 tors. eta vs tors. theta energy: -179.128 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 286 Temperature: 1.100000 Total energy: -1867.361435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1867.361435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1867.361435 (E_RNA) where: Base-Base interactions energy: -1227.170 where: short stacking energy: -495.440 Base-Backbone interact. energy: -3.114 local terms energy: -637.077598 where: bonds (distance) C4'-P energy: -107.999 bonds (distance) P-C4' energy: -131.296 flat angles C4'-P-C4' energy: -140.833 flat angles P-C4'-P energy: -88.584 tors. eta vs tors. theta energy: -168.365 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: 6 ===================================== Write number: 286 Temperature: 1.150000 Total energy: -1650.800370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1650.800370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1650.800370 (E_RNA) where: Base-Base interactions energy: -1048.687 where: short stacking energy: -476.918 Base-Backbone interact. energy: 1.496 local terms energy: -603.609149 where: bonds (distance) C4'-P energy: -123.467 bonds (distance) P-C4' energy: -128.611 flat angles C4'-P-C4' energy: -125.945 flat angles P-C4'-P energy: -85.772 tors. eta vs tors. theta energy: -139.814 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 286 Temperature: 1.200000 Total energy: -1150.721116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1150.721116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1150.721116 (E_RNA) where: Base-Base interactions energy: -717.900 where: short stacking energy: -300.237 Base-Backbone interact. energy: -4.233 local terms energy: -428.987817 where: bonds (distance) C4'-P energy: -103.024 bonds (distance) P-C4' energy: -110.365 flat angles C4'-P-C4' energy: -93.804 flat angles P-C4'-P energy: -72.870 tors. eta vs tors. theta energy: -48.926 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.400 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 286 Temperature: 1.250000 Total energy: -952.823538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -952.823538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -952.823538 (E_RNA) where: Base-Base interactions energy: -514.416 where: short stacking energy: -247.469 Base-Backbone interact. energy: 0.404 local terms energy: -438.811295 where: bonds (distance) C4'-P energy: -107.991 bonds (distance) P-C4' energy: -126.894 flat angles C4'-P-C4' energy: -96.840 flat angles P-C4'-P energy: -74.896 tors. eta vs tors. theta energy: -32.190 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: 9 ===================================== Write number: 286 Temperature: 1.300000 Total energy: -637.718689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -637.718689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -637.718689 (E_RNA) where: Base-Base interactions energy: -282.534 where: short stacking energy: -173.293 Base-Backbone interact. energy: 0.834 local terms energy: -356.018751 where: bonds (distance) C4'-P energy: -100.633 bonds (distance) P-C4' energy: -110.769 flat angles C4'-P-C4' energy: -106.143 flat angles P-C4'-P energy: -45.957 tors. eta vs tors. theta energy: 7.484 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 286 Temperature: 1.350000 Total energy: -490.834806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -490.834806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -490.834806 (E_RNA) where: Base-Base interactions energy: -164.449 where: short stacking energy: -150.540 Base-Backbone interact. energy: -1.550 local terms energy: -324.836459 where: bonds (distance) C4'-P energy: -103.579 bonds (distance) P-C4' energy: -114.061 flat angles C4'-P-C4' energy: -84.963 flat angles P-C4'-P energy: -45.650 tors. eta vs tors. theta energy: 23.417 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 287 Temperature: 0.900000 Total energy: -2264.284166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2264.284166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2264.284166 (E_RNA) where: Base-Base interactions energy: -1541.220 where: short stacking energy: -643.738 Base-Backbone interact. energy: -4.055 local terms energy: -719.009416 where: bonds (distance) C4'-P energy: -120.029 bonds (distance) P-C4' energy: -138.050 flat angles C4'-P-C4' energy: -151.689 flat angles P-C4'-P energy: -100.651 tors. eta vs tors. theta energy: -208.591 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 287 Temperature: 0.950000 Total energy: -2199.316843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2199.316843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2199.316843 (E_RNA) where: Base-Base interactions energy: -1476.298 where: short stacking energy: -627.826 Base-Backbone interact. energy: -5.462 local terms energy: -717.556878 where: bonds (distance) C4'-P energy: -128.030 bonds (distance) P-C4' energy: -134.621 flat angles C4'-P-C4' energy: -154.189 flat angles P-C4'-P energy: -100.113 tors. eta vs tors. theta energy: -200.604 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 287 Temperature: 1.000000 Total energy: -2118.940798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2118.940798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2118.940798 (E_RNA) where: Base-Base interactions energy: -1433.304 where: short stacking energy: -599.079 Base-Backbone interact. energy: -0.554 local terms energy: -685.082324 where: bonds (distance) C4'-P energy: -126.448 bonds (distance) P-C4' energy: -125.892 flat angles C4'-P-C4' energy: -137.702 flat angles P-C4'-P energy: -96.507 tors. eta vs tors. theta energy: -198.534 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 287 Temperature: 1.050000 Total energy: -2002.831346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2002.831346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2002.831346 (E_RNA) where: Base-Base interactions energy: -1326.335 where: short stacking energy: -526.713 Base-Backbone interact. energy: -4.320 local terms energy: -672.176134 where: bonds (distance) C4'-P energy: -117.810 bonds (distance) P-C4' energy: -135.502 flat angles C4'-P-C4' energy: -155.037 flat angles P-C4'-P energy: -97.093 tors. eta vs tors. theta energy: -166.733 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 287 Temperature: 1.100000 Total energy: -1890.154481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1890.154481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1890.154481 (E_RNA) where: Base-Base interactions energy: -1285.278 where: short stacking energy: -522.421 Base-Backbone interact. energy: -1.789 local terms energy: -603.087443 where: bonds (distance) C4'-P energy: -124.527 bonds (distance) P-C4' energy: -117.202 flat angles C4'-P-C4' energy: -135.427 flat angles P-C4'-P energy: -74.692 tors. eta vs tors. theta energy: -151.240 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: 6 ===================================== Write number: 287 Temperature: 1.150000 Total energy: -1728.056898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1728.056898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1728.056898 (E_RNA) where: Base-Base interactions energy: -1132.162 where: short stacking energy: -512.378 Base-Backbone interact. energy: -2.928 local terms energy: -592.966963 where: bonds (distance) C4'-P energy: -113.826 bonds (distance) P-C4' energy: -107.153 flat angles C4'-P-C4' energy: -135.938 flat angles P-C4'-P energy: -92.120 tors. eta vs tors. theta energy: -143.930 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: 1 ===================================== Write number: 287 Temperature: 1.200000 Total energy: -1127.776179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1127.776179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1127.776179 (E_RNA) where: Base-Base interactions energy: -670.103 where: short stacking energy: -307.294 Base-Backbone interact. energy: -2.795 local terms energy: -454.878270 where: bonds (distance) C4'-P energy: -113.169 bonds (distance) P-C4' energy: -114.340 flat angles C4'-P-C4' energy: -113.904 flat angles P-C4'-P energy: -70.169 tors. eta vs tors. theta energy: -43.297 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 287 Temperature: 1.250000 Total energy: -825.898089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -825.898089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -825.898089 (E_RNA) where: Base-Base interactions energy: -462.780 where: short stacking energy: -222.609 Base-Backbone interact. energy: -0.986 local terms energy: -362.132106 where: bonds (distance) C4'-P energy: -87.994 bonds (distance) P-C4' energy: -122.443 flat angles C4'-P-C4' energy: -93.899 flat angles P-C4'-P energy: -50.689 tors. eta vs tors. theta energy: -7.107 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 287 Temperature: 1.300000 Total energy: -695.813787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -695.813787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -695.813787 (E_RNA) where: Base-Base interactions energy: -317.082 where: short stacking energy: -164.139 Base-Backbone interact. energy: 3.014 local terms energy: -381.745866 where: bonds (distance) C4'-P energy: -108.570 bonds (distance) P-C4' energy: -112.112 flat angles C4'-P-C4' energy: -104.957 flat angles P-C4'-P energy: -66.469 tors. eta vs tors. theta energy: 10.361 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 287 Temperature: 1.350000 Total energy: -482.856346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -482.856346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -482.856346 (E_RNA) where: Base-Base interactions energy: -174.601 where: short stacking energy: -127.975 Base-Backbone interact. energy: -0.890 local terms energy: -307.364947 where: bonds (distance) C4'-P energy: -97.913 bonds (distance) P-C4' energy: -114.320 flat angles C4'-P-C4' energy: -72.822 flat angles P-C4'-P energy: -49.103 tors. eta vs tors. theta energy: 26.794 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 288 Temperature: 0.900000 Total energy: -2269.878468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2269.878468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2269.878468 (E_RNA) where: Base-Base interactions energy: -1527.012 where: short stacking energy: -648.439 Base-Backbone interact. energy: -2.754 local terms energy: -740.112296 where: bonds (distance) C4'-P energy: -135.097 bonds (distance) P-C4' energy: -145.369 flat angles C4'-P-C4' energy: -153.362 flat angles P-C4'-P energy: -98.905 tors. eta vs tors. theta energy: -207.378 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: 5 ===================================== Write number: 288 Temperature: 0.950000 Total energy: -2164.591761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2164.591761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2164.591761 (E_RNA) where: Base-Base interactions energy: -1455.251 where: short stacking energy: -595.919 Base-Backbone interact. energy: -3.956 local terms energy: -705.384591 where: bonds (distance) C4'-P energy: -127.760 bonds (distance) P-C4' energy: -127.344 flat angles C4'-P-C4' energy: -155.563 flat angles P-C4'-P energy: -110.150 tors. eta vs tors. theta energy: -184.568 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: 7 ===================================== Write number: 288 Temperature: 1.000000 Total energy: -2070.783293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2070.783293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2070.783293 (E_RNA) where: Base-Base interactions energy: -1392.617 where: short stacking energy: -579.182 Base-Backbone interact. energy: -2.663 local terms energy: -675.502940 where: bonds (distance) C4'-P energy: -137.873 bonds (distance) P-C4' energy: -119.298 flat angles C4'-P-C4' energy: -140.681 flat angles P-C4'-P energy: -84.667 tors. eta vs tors. theta energy: -192.984 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 288 Temperature: 1.050000 Total energy: -2013.156966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2013.156966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2013.156966 (E_RNA) where: Base-Base interactions energy: -1371.015 where: short stacking energy: -563.252 Base-Backbone interact. energy: -1.016 local terms energy: -641.125477 where: bonds (distance) C4'-P energy: -119.866 bonds (distance) P-C4' energy: -130.406 flat angles C4'-P-C4' energy: -127.864 flat angles P-C4'-P energy: -85.204 tors. eta vs tors. theta energy: -177.786 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 288 Temperature: 1.100000 Total energy: -1880.684433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1880.684433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1880.684433 (E_RNA) where: Base-Base interactions energy: -1266.976 where: short stacking energy: -530.453 Base-Backbone interact. energy: -2.679 local terms energy: -611.029558 where: bonds (distance) C4'-P energy: -118.035 bonds (distance) P-C4' energy: -116.394 flat angles C4'-P-C4' energy: -140.226 flat angles P-C4'-P energy: -78.849 tors. eta vs tors. theta energy: -157.526 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 288 Temperature: 1.150000 Total energy: -1670.425597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1670.425597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1670.425597 (E_RNA) where: Base-Base interactions energy: -1084.245 where: short stacking energy: -453.189 Base-Backbone interact. energy: -0.290 local terms energy: -585.890964 where: bonds (distance) C4'-P energy: -113.680 bonds (distance) P-C4' energy: -122.203 flat angles C4'-P-C4' energy: -130.105 flat angles P-C4'-P energy: -80.450 tors. eta vs tors. theta energy: -139.453 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: 1 ===================================== Write number: 288 Temperature: 1.200000 Total energy: -1155.561212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1155.561212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1155.561212 (E_RNA) where: Base-Base interactions energy: -685.902 where: short stacking energy: -320.119 Base-Backbone interact. energy: -1.146 local terms energy: -468.513401 where: bonds (distance) C4'-P energy: -93.071 bonds (distance) P-C4' energy: -111.043 flat angles C4'-P-C4' energy: -132.954 flat angles P-C4'-P energy: -74.127 tors. eta vs tors. theta energy: -57.319 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 288 Temperature: 1.250000 Total energy: -844.878828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -844.878828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -844.878828 (E_RNA) where: Base-Base interactions energy: -461.115 where: short stacking energy: -231.468 Base-Backbone interact. energy: -2.799 local terms energy: -380.965442 where: bonds (distance) C4'-P energy: -98.400 bonds (distance) P-C4' energy: -107.668 flat angles C4'-P-C4' energy: -91.467 flat angles P-C4'-P energy: -73.477 tors. eta vs tors. theta energy: -9.954 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: 9, replica: 9 ===================================== Write number: 288 Temperature: 1.300000 Total energy: -764.676215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -764.676215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -764.676215 (E_RNA) where: Base-Base interactions energy: -330.825 where: short stacking energy: -167.776 Base-Backbone interact. energy: -0.748 local terms energy: -433.103421 where: bonds (distance) C4'-P energy: -127.207 bonds (distance) P-C4' energy: -122.086 flat angles C4'-P-C4' energy: -97.551 flat angles P-C4'-P energy: -74.979 tors. eta vs tors. theta energy: -11.279 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: 10, replica: 4 ===================================== Write number: 288 Temperature: 1.350000 Total energy: -491.109531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -491.109531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -491.109531 (E_RNA) where: Base-Base interactions energy: -159.838 where: short stacking energy: -132.445 Base-Backbone interact. energy: 2.367 local terms energy: -333.639334 where: bonds (distance) C4'-P energy: -108.280 bonds (distance) P-C4' energy: -108.709 flat angles C4'-P-C4' energy: -111.546 flat angles P-C4'-P energy: -35.829 tors. eta vs tors. theta energy: 30.725 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 289 Temperature: 0.900000 Total energy: -2276.799324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2276.799324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2276.799324 (E_RNA) where: Base-Base interactions energy: -1532.126 where: short stacking energy: -654.644 Base-Backbone interact. energy: -2.315 local terms energy: -742.357977 where: bonds (distance) C4'-P energy: -134.328 bonds (distance) P-C4' energy: -132.441 flat angles C4'-P-C4' energy: -159.492 flat angles P-C4'-P energy: -104.531 tors. eta vs tors. theta energy: -211.566 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: 5 ===================================== Write number: 289 Temperature: 0.950000 Total energy: -2185.135948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2185.135948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2185.135948 (E_RNA) where: Base-Base interactions energy: -1471.928 where: short stacking energy: -626.656 Base-Backbone interact. energy: -3.488 local terms energy: -709.719895 where: bonds (distance) C4'-P energy: -136.011 bonds (distance) P-C4' energy: -123.687 flat angles C4'-P-C4' energy: -149.631 flat angles P-C4'-P energy: -108.180 tors. eta vs tors. theta energy: -192.210 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 289 Temperature: 1.000000 Total energy: -2067.550941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2067.550941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2067.550941 (E_RNA) where: Base-Base interactions energy: -1382.065 where: short stacking energy: -574.493 Base-Backbone interact. energy: -2.246 local terms energy: -683.239736 where: bonds (distance) C4'-P energy: -119.237 bonds (distance) P-C4' energy: -123.103 flat angles C4'-P-C4' energy: -146.466 flat angles P-C4'-P energy: -109.999 tors. eta vs tors. theta energy: -184.435 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 289 Temperature: 1.050000 Total energy: -1996.689980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1996.689980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1996.689980 (E_RNA) where: Base-Base interactions energy: -1382.161 where: short stacking energy: -544.047 Base-Backbone interact. energy: -1.218 local terms energy: -613.310382 where: bonds (distance) C4'-P energy: -111.012 bonds (distance) P-C4' energy: -110.513 flat angles C4'-P-C4' energy: -140.292 flat angles P-C4'-P energy: -85.234 tors. eta vs tors. theta energy: -166.260 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 289 Temperature: 1.100000 Total energy: -1884.887131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1884.887131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1884.887131 (E_RNA) where: Base-Base interactions energy: -1293.404 where: short stacking energy: -530.145 Base-Backbone interact. energy: 3.279 local terms energy: -594.761931 where: bonds (distance) C4'-P energy: -119.149 bonds (distance) P-C4' energy: -119.463 flat angles C4'-P-C4' energy: -126.973 flat angles P-C4'-P energy: -75.724 tors. eta vs tors. theta energy: -153.454 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 289 Temperature: 1.150000 Total energy: -1694.536430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1694.536430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1694.536430 (E_RNA) where: Base-Base interactions energy: -1098.582 where: short stacking energy: -486.691 Base-Backbone interact. energy: -1.187 local terms energy: -594.767645 where: bonds (distance) C4'-P energy: -104.629 bonds (distance) P-C4' energy: -129.583 flat angles C4'-P-C4' energy: -129.205 flat angles P-C4'-P energy: -78.905 tors. eta vs tors. theta energy: -152.446 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 289 Temperature: 1.200000 Total energy: -1146.347992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1146.347992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1146.347992 (E_RNA) where: Base-Base interactions energy: -710.708 where: short stacking energy: -316.110 Base-Backbone interact. energy: 8.864 local terms energy: -444.504521 where: bonds (distance) C4'-P energy: -124.439 bonds (distance) P-C4' energy: -122.780 flat angles C4'-P-C4' energy: -94.704 flat angles P-C4'-P energy: -42.820 tors. eta vs tors. theta energy: -59.761 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: 3 ===================================== Write number: 289 Temperature: 1.250000 Total energy: -857.833294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -857.833294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -857.833294 (E_RNA) where: Base-Base interactions energy: -460.047 where: short stacking energy: -250.753 Base-Backbone interact. energy: -3.176 local terms energy: -395.470756 where: bonds (distance) C4'-P energy: -92.281 bonds (distance) P-C4' energy: -112.055 flat angles C4'-P-C4' energy: -107.036 flat angles P-C4'-P energy: -55.930 tors. eta vs tors. theta energy: -28.169 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.860 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 289 Temperature: 1.300000 Total energy: -784.091342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -784.091342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -784.091342 (E_RNA) where: Base-Base interactions energy: -415.997 where: short stacking energy: -211.751 Base-Backbone interact. energy: 0.213 local terms energy: -368.307046 where: bonds (distance) C4'-P energy: -101.791 bonds (distance) P-C4' energy: -92.984 flat angles C4'-P-C4' energy: -90.981 flat angles P-C4'-P energy: -69.524 tors. eta vs tors. theta energy: -13.027 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 289 Temperature: 1.350000 Total energy: -487.861219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -487.861219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -487.861219 (E_RNA) where: Base-Base interactions energy: -157.226 where: short stacking energy: -127.393 Base-Backbone interact. energy: 2.907 local terms energy: -333.542625 where: bonds (distance) C4'-P energy: -107.280 bonds (distance) P-C4' energy: -119.867 flat angles C4'-P-C4' energy: -88.976 flat angles P-C4'-P energy: -56.125 tors. eta vs tors. theta energy: 38.705 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 290 Temperature: 0.900000 Total energy: -2262.796594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2262.796594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2262.796594 (E_RNA) where: Base-Base interactions energy: -1543.753 where: short stacking energy: -634.982 Base-Backbone interact. energy: -1.013 local terms energy: -718.030662 where: bonds (distance) C4'-P energy: -138.570 bonds (distance) P-C4' energy: -122.574 flat angles C4'-P-C4' energy: -158.082 flat angles P-C4'-P energy: -94.204 tors. eta vs tors. theta energy: -204.600 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 290 Temperature: 0.950000 Total energy: -2189.355693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2189.355693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2189.355693 (E_RNA) where: Base-Base interactions energy: -1496.983 where: short stacking energy: -642.996 Base-Backbone interact. energy: -4.045 local terms energy: -688.328208 where: bonds (distance) C4'-P energy: -124.039 bonds (distance) P-C4' energy: -125.839 flat angles C4'-P-C4' energy: -139.495 flat angles P-C4'-P energy: -100.796 tors. eta vs tors. theta energy: -198.158 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 290 Temperature: 1.000000 Total energy: -2095.506421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2095.506421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2095.506421 (E_RNA) where: Base-Base interactions energy: -1435.060 where: short stacking energy: -584.093 Base-Backbone interact. energy: 0.201 local terms energy: -660.647478 where: bonds (distance) C4'-P energy: -125.637 bonds (distance) P-C4' energy: -104.874 flat angles C4'-P-C4' energy: -141.565 flat angles P-C4'-P energy: -97.742 tors. eta vs tors. theta energy: -190.828 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 290 Temperature: 1.050000 Total energy: -1973.616597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1973.616597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1973.616597 (E_RNA) where: Base-Base interactions energy: -1308.811 where: short stacking energy: -519.452 Base-Backbone interact. energy: -3.076 local terms energy: -661.729702 where: bonds (distance) C4'-P energy: -128.130 bonds (distance) P-C4' energy: -134.813 flat angles C4'-P-C4' energy: -135.943 flat angles P-C4'-P energy: -94.936 tors. eta vs tors. theta energy: -167.907 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 290 Temperature: 1.100000 Total energy: -1856.080633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1856.080633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1856.080633 (E_RNA) where: Base-Base interactions energy: -1269.646 where: short stacking energy: -520.841 Base-Backbone interact. energy: -0.758 local terms energy: -585.677326 where: bonds (distance) C4'-P energy: -107.673 bonds (distance) P-C4' energy: -116.933 flat angles C4'-P-C4' energy: -124.495 flat angles P-C4'-P energy: -87.776 tors. eta vs tors. theta energy: -148.800 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: 6 ===================================== Write number: 290 Temperature: 1.150000 Total energy: -1636.956691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1636.956691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1636.956691 (E_RNA) where: Base-Base interactions energy: -1057.251 where: short stacking energy: -489.043 Base-Backbone interact. energy: -3.372 local terms energy: -576.333665 where: bonds (distance) C4'-P energy: -112.196 bonds (distance) P-C4' energy: -130.878 flat angles C4'-P-C4' energy: -123.845 flat angles P-C4'-P energy: -56.173 tors. eta vs tors. theta energy: -153.242 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: 1 ===================================== Write number: 290 Temperature: 1.200000 Total energy: -1212.164534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1212.164534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1212.164534 (E_RNA) where: Base-Base interactions energy: -753.009 where: short stacking energy: -334.786 Base-Backbone interact. energy: -6.291 local terms energy: -452.864735 where: bonds (distance) C4'-P energy: -105.439 bonds (distance) P-C4' energy: -104.682 flat angles C4'-P-C4' energy: -115.757 flat angles P-C4'-P energy: -60.531 tors. eta vs tors. theta energy: -66.456 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 290 Temperature: 1.250000 Total energy: -789.667870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -789.667870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -789.667870 (E_RNA) where: Base-Base interactions energy: -373.611 where: short stacking energy: -206.393 Base-Backbone interact. energy: -5.410 local terms energy: -410.646598 where: bonds (distance) C4'-P energy: -117.279 bonds (distance) P-C4' energy: -116.000 flat angles C4'-P-C4' energy: -108.257 flat angles P-C4'-P energy: -69.343 tors. eta vs tors. theta energy: 0.232 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 290 Temperature: 1.300000 Total energy: -719.786511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -719.786511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -719.786511 (E_RNA) where: Base-Base interactions energy: -361.705 where: short stacking energy: -186.574 Base-Backbone interact. energy: 3.151 local terms energy: -361.232833 where: bonds (distance) C4'-P energy: -98.513 bonds (distance) P-C4' energy: -99.899 flat angles C4'-P-C4' energy: -85.851 flat angles P-C4'-P energy: -72.356 tors. eta vs tors. theta energy: -4.613 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 290 Temperature: 1.350000 Total energy: -513.022593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -513.022593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -513.022593 (E_RNA) where: Base-Base interactions energy: -189.688 where: short stacking energy: -123.780 Base-Backbone interact. energy: 7.890 local terms energy: -331.224813 where: bonds (distance) C4'-P energy: -102.112 bonds (distance) P-C4' energy: -117.612 flat angles C4'-P-C4' energy: -93.053 flat angles P-C4'-P energy: -54.038 tors. eta vs tors. theta energy: 35.590 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: 2 ===================================== Write number: 291 Temperature: 0.900000 Total energy: -2277.264138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2277.264138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2277.264138 (E_RNA) where: Base-Base interactions energy: -1548.797 where: short stacking energy: -649.149 Base-Backbone interact. energy: -2.370 local terms energy: -726.097957 where: bonds (distance) C4'-P energy: -123.018 bonds (distance) P-C4' energy: -133.299 flat angles C4'-P-C4' energy: -155.710 flat angles P-C4'-P energy: -101.225 tors. eta vs tors. theta energy: -212.847 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: 5 ===================================== Write number: 291 Temperature: 0.950000 Total energy: -2171.011319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2171.011319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2171.011319 (E_RNA) where: Base-Base interactions energy: -1489.670 where: short stacking energy: -612.973 Base-Backbone interact. energy: -2.054 local terms energy: -679.287789 where: bonds (distance) C4'-P energy: -118.959 bonds (distance) P-C4' energy: -125.953 flat angles C4'-P-C4' energy: -135.414 flat angles P-C4'-P energy: -111.591 tors. eta vs tors. theta energy: -187.370 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 291 Temperature: 1.000000 Total energy: -2144.813140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2144.813140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2144.813140 (E_RNA) where: Base-Base interactions energy: -1468.646 where: short stacking energy: -589.434 Base-Backbone interact. energy: -2.824 local terms energy: -673.343182 where: bonds (distance) C4'-P energy: -133.363 bonds (distance) P-C4' energy: -121.740 flat angles C4'-P-C4' energy: -136.975 flat angles P-C4'-P energy: -87.833 tors. eta vs tors. theta energy: -193.433 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: 4, replica: 10 ===================================== Write number: 291 Temperature: 1.050000 Total energy: -1960.426621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1960.426621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1960.426621 (E_RNA) where: Base-Base interactions energy: -1329.339 where: short stacking energy: -528.199 Base-Backbone interact. energy: -4.208 local terms energy: -626.880165 where: bonds (distance) C4'-P energy: -118.651 bonds (distance) P-C4' energy: -124.064 flat angles C4'-P-C4' energy: -132.695 flat angles P-C4'-P energy: -96.984 tors. eta vs tors. theta energy: -154.485 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 291 Temperature: 1.100000 Total energy: -1826.070640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1826.070640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1826.070640 (E_RNA) where: Base-Base interactions energy: -1233.269 where: short stacking energy: -532.827 Base-Backbone interact. energy: 1.351 local terms energy: -594.153116 where: bonds (distance) C4'-P energy: -123.336 bonds (distance) P-C4' energy: -118.600 flat angles C4'-P-C4' energy: -126.453 flat angles P-C4'-P energy: -74.735 tors. eta vs tors. theta energy: -151.029 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: 6, replica: 6 ===================================== Write number: 291 Temperature: 1.150000 Total energy: -1683.772314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1683.772314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1683.772314 (E_RNA) where: Base-Base interactions energy: -1101.470 where: short stacking energy: -500.465 Base-Backbone interact. energy: -3.624 local terms energy: -578.678628 where: bonds (distance) C4'-P energy: -124.349 bonds (distance) P-C4' energy: -119.828 flat angles C4'-P-C4' energy: -110.353 flat angles P-C4'-P energy: -75.695 tors. eta vs tors. theta energy: -148.454 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 291 Temperature: 1.200000 Total energy: -1192.636261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1192.636261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1192.636261 (E_RNA) where: Base-Base interactions energy: -714.273 where: short stacking energy: -324.385 Base-Backbone interact. energy: 0.594 local terms energy: -478.956603 where: bonds (distance) C4'-P energy: -121.307 bonds (distance) P-C4' energy: -118.718 flat angles C4'-P-C4' energy: -120.703 flat angles P-C4'-P energy: -60.617 tors. eta vs tors. theta energy: -57.611 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: 3 ===================================== Write number: 291 Temperature: 1.250000 Total energy: -772.700457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -772.700457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -772.700457 (E_RNA) where: Base-Base interactions energy: -382.192 where: short stacking energy: -213.964 Base-Backbone interact. energy: 2.538 local terms energy: -393.047060 where: bonds (distance) C4'-P energy: -105.847 bonds (distance) P-C4' energy: -114.909 flat angles C4'-P-C4' energy: -119.306 flat angles P-C4'-P energy: -59.942 tors. eta vs tors. theta energy: 6.956 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 291 Temperature: 1.300000 Total energy: -728.157266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -728.157266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -728.157266 (E_RNA) where: Base-Base interactions energy: -355.946 where: short stacking energy: -194.750 Base-Backbone interact. energy: 1.992 local terms energy: -374.202428 where: bonds (distance) C4'-P energy: -112.435 bonds (distance) P-C4' energy: -101.333 flat angles C4'-P-C4' energy: -102.511 flat angles P-C4'-P energy: -56.877 tors. eta vs tors. theta energy: -1.046 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: 10, replica: 4 ===================================== Write number: 291 Temperature: 1.350000 Total energy: -486.045421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -486.045421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -486.045421 (E_RNA) where: Base-Base interactions energy: -144.885 where: short stacking energy: -124.243 Base-Backbone interact. energy: -2.260 local terms energy: -338.900016 where: bonds (distance) C4'-P energy: -118.976 bonds (distance) P-C4' energy: -120.338 flat angles C4'-P-C4' energy: -103.364 flat angles P-C4'-P energy: -41.715 tors. eta vs tors. theta energy: 45.493 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 292 Temperature: 0.900000 Total energy: -2199.537315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2199.537315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2199.537315 (E_RNA) where: Base-Base interactions energy: -1497.688 where: short stacking energy: -608.028 Base-Backbone interact. energy: -0.700 local terms energy: -701.149524 where: bonds (distance) C4'-P energy: -127.578 bonds (distance) P-C4' energy: -129.071 flat angles C4'-P-C4' energy: -145.356 flat angles P-C4'-P energy: -106.852 tors. eta vs tors. theta energy: -192.292 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 292 Temperature: 0.950000 Total energy: -2195.267534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2195.267534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2195.267534 (E_RNA) where: Base-Base interactions energy: -1495.759 where: short stacking energy: -627.034 Base-Backbone interact. energy: -0.536 local terms energy: -698.972715 where: bonds (distance) C4'-P energy: -111.989 bonds (distance) P-C4' energy: -143.507 flat angles C4'-P-C4' energy: -147.736 flat angles P-C4'-P energy: -93.479 tors. eta vs tors. theta energy: -202.262 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 292 Temperature: 1.000000 Total energy: -2168.295403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2168.295403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2168.295403 (E_RNA) where: Base-Base interactions energy: -1479.592 where: short stacking energy: -624.250 Base-Backbone interact. energy: -0.696 local terms energy: -688.007094 where: bonds (distance) C4'-P energy: -144.495 bonds (distance) P-C4' energy: -130.583 flat angles C4'-P-C4' energy: -137.262 flat angles P-C4'-P energy: -71.284 tors. eta vs tors. theta energy: -204.383 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: 10 ===================================== Write number: 292 Temperature: 1.050000 Total energy: -1970.742692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1970.742692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1970.742692 (E_RNA) where: Base-Base interactions energy: -1349.849 where: short stacking energy: -520.123 Base-Backbone interact. energy: -3.739 local terms energy: -617.155616 where: bonds (distance) C4'-P energy: -124.980 bonds (distance) P-C4' energy: -122.364 flat angles C4'-P-C4' energy: -124.853 flat angles P-C4'-P energy: -83.728 tors. eta vs tors. theta energy: -161.230 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: 5, replica: 8 ===================================== Write number: 292 Temperature: 1.100000 Total energy: -1902.805324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1902.805324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1902.805324 (E_RNA) where: Base-Base interactions energy: -1244.342 where: short stacking energy: -516.431 Base-Backbone interact. energy: 0.845 local terms energy: -662.480271 where: bonds (distance) C4'-P energy: -130.485 bonds (distance) P-C4' energy: -131.844 flat angles C4'-P-C4' energy: -138.502 flat angles P-C4'-P energy: -88.960 tors. eta vs tors. theta energy: -172.689 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 3.172 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 292 Temperature: 1.150000 Total energy: -1690.378251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1690.378251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1690.378251 (E_RNA) where: Base-Base interactions energy: -1089.056 where: short stacking energy: -481.006 Base-Backbone interact. energy: -3.563 local terms energy: -597.758832 where: bonds (distance) C4'-P energy: -103.540 bonds (distance) P-C4' energy: -124.370 flat angles C4'-P-C4' energy: -132.266 flat angles P-C4'-P energy: -83.512 tors. eta vs tors. theta energy: -154.070 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 292 Temperature: 1.200000 Total energy: -1246.691549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1246.691549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1246.691549 (E_RNA) where: Base-Base interactions energy: -774.456 where: short stacking energy: -322.703 Base-Backbone interact. energy: -1.015 local terms energy: -471.220516 where: bonds (distance) C4'-P energy: -102.031 bonds (distance) P-C4' energy: -118.927 flat angles C4'-P-C4' energy: -115.147 flat angles P-C4'-P energy: -70.955 tors. eta vs tors. theta energy: -64.161 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 292 Temperature: 1.250000 Total energy: -793.433368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -793.433368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -793.433368 (E_RNA) where: Base-Base interactions energy: -392.172 where: short stacking energy: -209.089 Base-Backbone interact. energy: 1.437 local terms energy: -403.441534 where: bonds (distance) C4'-P energy: -107.600 bonds (distance) P-C4' energy: -112.515 flat angles C4'-P-C4' energy: -123.322 flat angles P-C4'-P energy: -49.031 tors. eta vs tors. theta energy: -10.974 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.744 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 292 Temperature: 1.300000 Total energy: -724.616435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -724.616435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -724.616435 (E_RNA) where: Base-Base interactions energy: -360.441 where: short stacking energy: -208.222 Base-Backbone interact. energy: 2.419 local terms energy: -366.594395 where: bonds (distance) C4'-P energy: -99.556 bonds (distance) P-C4' energy: -80.728 flat angles C4'-P-C4' energy: -98.912 flat angles P-C4'-P energy: -73.330 tors. eta vs tors. theta energy: -14.069 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 292 Temperature: 1.350000 Total energy: -504.801890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -504.801890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -504.801890 (E_RNA) where: Base-Base interactions energy: -168.593 where: short stacking energy: -149.879 Base-Backbone interact. energy: -1.175 local terms energy: -335.034673 where: bonds (distance) C4'-P energy: -96.010 bonds (distance) P-C4' energy: -118.559 flat angles C4'-P-C4' energy: -91.357 flat angles P-C4'-P energy: -50.694 tors. eta vs tors. theta energy: 21.586 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: 5 ===================================== Write number: 293 Temperature: 0.900000 Total energy: -2251.795062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2251.795062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2251.795062 (E_RNA) where: Base-Base interactions energy: -1535.036 where: short stacking energy: -669.628 Base-Backbone interact. energy: -2.442 local terms energy: -714.317344 where: bonds (distance) C4'-P energy: -121.901 bonds (distance) P-C4' energy: -141.164 flat angles C4'-P-C4' energy: -149.836 flat angles P-C4'-P energy: -98.677 tors. eta vs tors. theta energy: -202.740 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 293 Temperature: 0.950000 Total energy: -2205.553369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2205.553369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2205.553369 (E_RNA) where: Base-Base interactions energy: -1522.276 where: short stacking energy: -621.102 Base-Backbone interact. energy: -1.105 local terms energy: -682.172857 where: bonds (distance) C4'-P energy: -117.627 bonds (distance) P-C4' energy: -145.212 flat angles C4'-P-C4' energy: -149.754 flat angles P-C4'-P energy: -79.474 tors. eta vs tors. theta energy: -190.106 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 293 Temperature: 1.000000 Total energy: -2130.462491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2130.462491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2130.462491 (E_RNA) where: Base-Base interactions energy: -1438.940 where: short stacking energy: -604.085 Base-Backbone interact. energy: -0.390 local terms energy: -691.132861 where: bonds (distance) C4'-P energy: -125.936 bonds (distance) P-C4' energy: -133.745 flat angles C4'-P-C4' energy: -152.081 flat angles P-C4'-P energy: -93.910 tors. eta vs tors. theta energy: -185.461 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 293 Temperature: 1.050000 Total energy: -1958.748968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1958.748968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1958.748968 (E_RNA) where: Base-Base interactions energy: -1336.579 where: short stacking energy: -556.193 Base-Backbone interact. energy: -1.449 local terms energy: -620.720900 where: bonds (distance) C4'-P energy: -128.853 bonds (distance) P-C4' energy: -121.934 flat angles C4'-P-C4' energy: -125.740 flat angles P-C4'-P energy: -85.420 tors. eta vs tors. theta energy: -158.775 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: 293 Temperature: 1.100000 Total energy: -1882.211943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1882.211943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1882.211943 (E_RNA) where: Base-Base interactions energy: -1251.222 where: short stacking energy: -524.675 Base-Backbone interact. energy: 0.193 local terms energy: -631.183083 where: bonds (distance) C4'-P energy: -117.907 bonds (distance) P-C4' energy: -116.496 flat angles C4'-P-C4' energy: -137.639 flat angles P-C4'-P energy: -92.210 tors. eta vs tors. theta energy: -166.932 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 293 Temperature: 1.150000 Total energy: -1703.458032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1703.458032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1703.458032 (E_RNA) where: Base-Base interactions energy: -1110.951 where: short stacking energy: -477.028 Base-Backbone interact. energy: 1.519 local terms energy: -594.025527 where: bonds (distance) C4'-P energy: -127.896 bonds (distance) P-C4' energy: -118.014 flat angles C4'-P-C4' energy: -138.828 flat angles P-C4'-P energy: -64.514 tors. eta vs tors. theta energy: -144.773 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 293 Temperature: 1.200000 Total energy: -1279.235387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1279.235387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1279.235387 (E_RNA) where: Base-Base interactions energy: -830.190 where: short stacking energy: -306.876 Base-Backbone interact. energy: -0.613 local terms energy: -448.432129 where: bonds (distance) C4'-P energy: -114.224 bonds (distance) P-C4' energy: -116.615 flat angles C4'-P-C4' energy: -117.925 flat angles P-C4'-P energy: -55.490 tors. eta vs tors. theta energy: -44.178 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: 8, replica: 3 ===================================== Write number: 293 Temperature: 1.250000 Total energy: -773.947336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -773.947336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -773.947336 (E_RNA) where: Base-Base interactions energy: -358.088 where: short stacking energy: -197.270 Base-Backbone interact. energy: 0.802 local terms energy: -416.661381 where: bonds (distance) C4'-P energy: -124.959 bonds (distance) P-C4' energy: -124.827 flat angles C4'-P-C4' energy: -110.973 flat angles P-C4'-P energy: -67.739 tors. eta vs tors. theta energy: 11.837 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 293 Temperature: 1.300000 Total energy: -764.598672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -764.598672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -764.598672 (E_RNA) where: Base-Base interactions energy: -396.333 where: short stacking energy: -190.751 Base-Backbone interact. energy: 0.776 local terms energy: -369.041709 where: bonds (distance) C4'-P energy: -97.986 bonds (distance) P-C4' energy: -125.288 flat angles C4'-P-C4' energy: -87.122 flat angles P-C4'-P energy: -62.277 tors. eta vs tors. theta energy: 3.631 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: 4 ===================================== Write number: 293 Temperature: 1.350000 Total energy: -496.823323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -496.823323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -496.823323 (E_RNA) where: Base-Base interactions energy: -170.312 where: short stacking energy: -147.369 Base-Backbone interact. energy: 6.344 local terms energy: -332.855559 where: bonds (distance) C4'-P energy: -92.582 bonds (distance) P-C4' energy: -103.575 flat angles C4'-P-C4' energy: -97.164 flat angles P-C4'-P energy: -55.542 tors. eta vs tors. theta energy: 16.008 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 294 Temperature: 0.900000 Total energy: -2237.908491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2237.908491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2237.908491 (E_RNA) where: Base-Base interactions energy: -1506.131 where: short stacking energy: -643.276 Base-Backbone interact. energy: -0.253 local terms energy: -731.524580 where: bonds (distance) C4'-P energy: -141.052 bonds (distance) P-C4' energy: -132.814 flat angles C4'-P-C4' energy: -152.645 flat angles P-C4'-P energy: -96.339 tors. eta vs tors. theta energy: -208.674 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: 5 ===================================== Write number: 294 Temperature: 0.950000 Total energy: -2184.969894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2184.969894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2184.969894 (E_RNA) where: Base-Base interactions energy: -1486.361 where: short stacking energy: -626.134 Base-Backbone interact. energy: -4.921 local terms energy: -693.687726 where: bonds (distance) C4'-P energy: -122.977 bonds (distance) P-C4' energy: -132.826 flat angles C4'-P-C4' energy: -149.234 flat angles P-C4'-P energy: -100.278 tors. eta vs tors. theta energy: -188.372 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: 7 ===================================== Write number: 294 Temperature: 1.000000 Total energy: -2151.220703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2151.220703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2151.220703 (E_RNA) where: Base-Base interactions energy: -1462.801 where: short stacking energy: -593.770 Base-Backbone interact. energy: 2.031 local terms energy: -690.450929 where: bonds (distance) C4'-P energy: -114.862 bonds (distance) P-C4' energy: -137.209 flat angles C4'-P-C4' energy: -146.449 flat angles P-C4'-P energy: -91.748 tors. eta vs tors. theta energy: -200.183 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: 10 ===================================== Write number: 294 Temperature: 1.050000 Total energy: -1916.229298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1916.229298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1916.229298 (E_RNA) where: Base-Base interactions energy: -1268.465 where: short stacking energy: -522.257 Base-Backbone interact. energy: 1.091 local terms energy: -648.855170 where: bonds (distance) C4'-P energy: -127.115 bonds (distance) P-C4' energy: -126.763 flat angles C4'-P-C4' energy: -142.517 flat angles P-C4'-P energy: -98.070 tors. eta vs tors. theta energy: -154.389 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 294 Temperature: 1.100000 Total energy: -1873.069862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1873.069862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1873.069862 (E_RNA) where: Base-Base interactions energy: -1258.239 where: short stacking energy: -542.656 Base-Backbone interact. energy: 0.573 local terms energy: -615.404152 where: bonds (distance) C4'-P energy: -108.048 bonds (distance) P-C4' energy: -117.725 flat angles C4'-P-C4' energy: -147.341 flat angles P-C4'-P energy: -88.017 tors. eta vs tors. theta energy: -154.273 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 294 Temperature: 1.150000 Total energy: -1705.878064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1705.878064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1705.878064 (E_RNA) where: Base-Base interactions energy: -1116.872 where: short stacking energy: -513.428 Base-Backbone interact. energy: -1.223 local terms energy: -587.783672 where: bonds (distance) C4'-P energy: -98.568 bonds (distance) P-C4' energy: -126.327 flat angles C4'-P-C4' energy: -118.517 flat angles P-C4'-P energy: -80.299 tors. eta vs tors. theta energy: -164.072 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: 1 ===================================== Write number: 294 Temperature: 1.200000 Total energy: -1323.730283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1323.730283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1323.730283 (E_RNA) where: Base-Base interactions energy: -820.962 where: short stacking energy: -347.301 Base-Backbone interact. energy: -1.494 local terms energy: -501.274059 where: bonds (distance) C4'-P energy: -104.173 bonds (distance) P-C4' energy: -113.611 flat angles C4'-P-C4' energy: -123.356 flat angles P-C4'-P energy: -82.453 tors. eta vs tors. theta energy: -77.681 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: 3 ===================================== Write number: 294 Temperature: 1.250000 Total energy: -762.333971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -762.333971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -762.333971 (E_RNA) where: Base-Base interactions energy: -376.882 where: short stacking energy: -193.933 Base-Backbone interact. energy: 2.478 local terms energy: -387.929179 where: bonds (distance) C4'-P energy: -85.203 bonds (distance) P-C4' energy: -122.800 flat angles C4'-P-C4' energy: -100.563 flat angles P-C4'-P energy: -80.237 tors. eta vs tors. theta energy: 0.874 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 294 Temperature: 1.300000 Total energy: -737.260337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -737.260337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -737.260337 (E_RNA) where: Base-Base interactions energy: -356.897 where: short stacking energy: -169.692 Base-Backbone interact. energy: -0.809 local terms energy: -379.554215 where: bonds (distance) C4'-P energy: -101.585 bonds (distance) P-C4' energy: -119.150 flat angles C4'-P-C4' energy: -91.857 flat angles P-C4'-P energy: -59.596 tors. eta vs tors. theta energy: -7.367 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 294 Temperature: 1.350000 Total energy: -515.522713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -515.522713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -515.522713 (E_RNA) where: Base-Base interactions energy: -208.479 where: short stacking energy: -160.283 Base-Backbone interact. energy: 0.103 local terms energy: -307.146526 where: bonds (distance) C4'-P energy: -94.109 bonds (distance) P-C4' energy: -100.509 flat angles C4'-P-C4' energy: -98.148 flat angles P-C4'-P energy: -50.191 tors. eta vs tors. theta energy: 35.811 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 295 Temperature: 0.900000 Total energy: -2246.535981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2246.535981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2246.535981 (E_RNA) where: Base-Base interactions energy: -1516.928 where: short stacking energy: -632.856 Base-Backbone interact. energy: -0.556 local terms energy: -729.051360 where: bonds (distance) C4'-P energy: -147.136 bonds (distance) P-C4' energy: -133.580 flat angles C4'-P-C4' energy: -150.093 flat angles P-C4'-P energy: -100.667 tors. eta vs tors. theta energy: -197.575 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: 7 ===================================== Write number: 295 Temperature: 0.950000 Total energy: -2238.184016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2238.184016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2238.184016 (E_RNA) where: Base-Base interactions energy: -1520.314 where: short stacking energy: -628.201 Base-Backbone interact. energy: -0.186 local terms energy: -717.683329 where: bonds (distance) C4'-P energy: -116.379 bonds (distance) P-C4' energy: -129.471 flat angles C4'-P-C4' energy: -159.887 flat angles P-C4'-P energy: -100.866 tors. eta vs tors. theta energy: -211.080 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 295 Temperature: 1.000000 Total energy: -2131.050037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2131.050037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2131.050037 (E_RNA) where: Base-Base interactions energy: -1478.803 where: short stacking energy: -615.408 Base-Backbone interact. energy: -3.851 local terms energy: -648.395651 where: bonds (distance) C4'-P energy: -110.367 bonds (distance) P-C4' energy: -125.866 flat angles C4'-P-C4' energy: -135.765 flat angles P-C4'-P energy: -99.071 tors. eta vs tors. theta energy: -177.327 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 295 Temperature: 1.050000 Total energy: -1913.961068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1913.961068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1913.961068 (E_RNA) where: Base-Base interactions energy: -1253.263 where: short stacking energy: -534.075 Base-Backbone interact. energy: -0.167 local terms energy: -660.531090 where: bonds (distance) C4'-P energy: -122.718 bonds (distance) P-C4' energy: -129.968 flat angles C4'-P-C4' energy: -153.157 flat angles P-C4'-P energy: -99.790 tors. eta vs tors. theta energy: -154.898 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 295 Temperature: 1.100000 Total energy: -1866.583242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1866.583242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1866.583242 (E_RNA) where: Base-Base interactions energy: -1258.390 where: short stacking energy: -500.946 Base-Backbone interact. energy: 3.293 local terms energy: -611.486384 where: bonds (distance) C4'-P energy: -122.412 bonds (distance) P-C4' energy: -115.976 flat angles C4'-P-C4' energy: -137.515 flat angles P-C4'-P energy: -87.978 tors. eta vs tors. theta energy: -147.606 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 295 Temperature: 1.150000 Total energy: -1707.013607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1707.013607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1707.013607 (E_RNA) where: Base-Base interactions energy: -1112.626 where: short stacking energy: -468.817 Base-Backbone interact. energy: 4.435 local terms energy: -598.822412 where: bonds (distance) C4'-P energy: -109.217 bonds (distance) P-C4' energy: -128.014 flat angles C4'-P-C4' energy: -127.239 flat angles P-C4'-P energy: -87.136 tors. eta vs tors. theta energy: -147.216 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: 295 Temperature: 1.200000 Total energy: -1392.239510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1392.239510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1392.239510 (E_RNA) where: Base-Base interactions energy: -916.657 where: short stacking energy: -376.856 Base-Backbone interact. energy: 0.059 local terms energy: -477.041818 where: bonds (distance) C4'-P energy: -115.261 bonds (distance) P-C4' energy: -103.603 flat angles C4'-P-C4' energy: -94.689 flat angles P-C4'-P energy: -81.376 tors. eta vs tors. theta energy: -82.113 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 1.401 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 295 Temperature: 1.250000 Total energy: -846.406433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -846.406433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -846.406433 (E_RNA) where: Base-Base interactions energy: -444.706 where: short stacking energy: -233.016 Base-Backbone interact. energy: -1.279 local terms energy: -400.421054 where: bonds (distance) C4'-P energy: -115.173 bonds (distance) P-C4' energy: -109.152 flat angles C4'-P-C4' energy: -99.383 flat angles P-C4'-P energy: -64.880 tors. eta vs tors. theta energy: -11.834 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: 9, replica: 3 ===================================== Write number: 295 Temperature: 1.300000 Total energy: -757.374099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -757.374099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -757.374099 (E_RNA) where: Base-Base interactions energy: -403.739 where: short stacking energy: -218.452 Base-Backbone interact. energy: -2.231 local terms energy: -351.403947 where: bonds (distance) C4'-P energy: -109.395 bonds (distance) P-C4' energy: -97.350 flat angles C4'-P-C4' energy: -86.429 flat angles P-C4'-P energy: -69.547 tors. eta vs tors. theta energy: 11.317 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 295 Temperature: 1.350000 Total energy: -484.515070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -484.515070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -484.515070 (E_RNA) where: Base-Base interactions energy: -219.268 where: short stacking energy: -124.871 Base-Backbone interact. energy: -0.877 local terms energy: -264.370458 where: bonds (distance) C4'-P energy: -85.924 bonds (distance) P-C4' energy: -98.177 flat angles C4'-P-C4' energy: -80.180 flat angles P-C4'-P energy: -41.470 tors. eta vs tors. theta energy: 41.381 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 296 Temperature: 0.900000 Total energy: -2285.551202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2285.551202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2285.551202 (E_RNA) where: Base-Base interactions energy: -1549.255 where: short stacking energy: -642.295 Base-Backbone interact. energy: -2.798 local terms energy: -733.497899 where: bonds (distance) C4'-P energy: -139.047 bonds (distance) P-C4' energy: -133.725 flat angles C4'-P-C4' energy: -161.384 flat angles P-C4'-P energy: -86.712 tors. eta vs tors. theta energy: -212.629 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: 2, replica: 2 ===================================== Write number: 296 Temperature: 0.950000 Total energy: -2214.858763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2214.858763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2214.858763 (E_RNA) where: Base-Base interactions energy: -1508.595 where: short stacking energy: -624.120 Base-Backbone interact. energy: -4.764 local terms energy: -701.498901 where: bonds (distance) C4'-P energy: -125.254 bonds (distance) P-C4' energy: -125.299 flat angles C4'-P-C4' energy: -150.944 flat angles P-C4'-P energy: -103.877 tors. eta vs tors. theta energy: -196.125 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: 5 ===================================== Write number: 296 Temperature: 1.000000 Total energy: -2109.901597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2109.901597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2109.901597 (E_RNA) where: Base-Base interactions energy: -1430.704 where: short stacking energy: -584.928 Base-Backbone interact. energy: -0.580 local terms energy: -678.618261 where: bonds (distance) C4'-P energy: -131.110 bonds (distance) P-C4' energy: -140.614 flat angles C4'-P-C4' energy: -133.245 flat angles P-C4'-P energy: -91.177 tors. eta vs tors. theta energy: -182.473 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: 10 ===================================== Write number: 296 Temperature: 1.050000 Total energy: -1924.419237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1924.419237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1924.419237 (E_RNA) where: Base-Base interactions energy: -1289.493 where: short stacking energy: -558.261 Base-Backbone interact. energy: -0.622 local terms energy: -634.304408 where: bonds (distance) C4'-P energy: -124.712 bonds (distance) P-C4' energy: -121.663 flat angles C4'-P-C4' energy: -135.058 flat angles P-C4'-P energy: -87.790 tors. eta vs tors. theta energy: -165.081 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 296 Temperature: 1.100000 Total energy: -1854.466742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1854.466742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1854.466742 (E_RNA) where: Base-Base interactions energy: -1245.250 where: short stacking energy: -520.225 Base-Backbone interact. energy: -1.278 local terms energy: -607.938535 where: bonds (distance) C4'-P energy: -101.745 bonds (distance) P-C4' energy: -140.097 flat angles C4'-P-C4' energy: -136.534 flat angles P-C4'-P energy: -84.868 tors. eta vs tors. theta energy: -144.695 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 296 Temperature: 1.150000 Total energy: -1669.575398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1669.575398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1669.575398 (E_RNA) where: Base-Base interactions energy: -1112.908 where: short stacking energy: -465.266 Base-Backbone interact. energy: -0.787 local terms energy: -555.880082 where: bonds (distance) C4'-P energy: -87.303 bonds (distance) P-C4' energy: -109.640 flat angles C4'-P-C4' energy: -128.054 flat angles P-C4'-P energy: -80.303 tors. eta vs tors. theta energy: -150.581 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 296 Temperature: 1.200000 Total energy: -1358.600842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1358.600842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1358.600842 (E_RNA) where: Base-Base interactions energy: -894.996 where: short stacking energy: -386.235 Base-Backbone interact. energy: 1.692 local terms energy: -466.502717 where: bonds (distance) C4'-P energy: -101.596 bonds (distance) P-C4' energy: -124.609 flat angles C4'-P-C4' energy: -103.877 flat angles P-C4'-P energy: -53.626 tors. eta vs tors. theta energy: -82.794 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 1.206 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 296 Temperature: 1.250000 Total energy: -796.121973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -796.121973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -796.121973 (E_RNA) where: Base-Base interactions energy: -390.226 where: short stacking energy: -198.564 Base-Backbone interact. energy: -3.212 local terms energy: -402.684627 where: bonds (distance) C4'-P energy: -100.289 bonds (distance) P-C4' energy: -127.904 flat angles C4'-P-C4' energy: -97.033 flat angles P-C4'-P energy: -63.833 tors. eta vs tors. theta energy: -13.625 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 296 Temperature: 1.300000 Total energy: -690.129564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -690.129564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -690.129564 (E_RNA) where: Base-Base interactions energy: -317.049 where: short stacking energy: -181.336 Base-Backbone interact. energy: 0.005 local terms energy: -373.085741 where: bonds (distance) C4'-P energy: -129.965 bonds (distance) P-C4' energy: -101.743 flat angles C4'-P-C4' energy: -107.342 flat angles P-C4'-P energy: -42.295 tors. eta vs tors. theta energy: 8.260 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: 4 ===================================== Write number: 296 Temperature: 1.350000 Total energy: -489.697953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -489.697953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -489.697953 (E_RNA) where: Base-Base interactions energy: -170.386 where: short stacking energy: -128.023 Base-Backbone interact. energy: -0.634 local terms energy: -318.678086 where: bonds (distance) C4'-P energy: -117.141 bonds (distance) P-C4' energy: -98.457 flat angles C4'-P-C4' energy: -91.543 flat angles P-C4'-P energy: -43.632 tors. eta vs tors. theta energy: 32.095 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 297 Temperature: 0.900000 Total energy: -2255.298576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2255.298576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2255.298576 (E_RNA) where: Base-Base interactions energy: -1517.176 where: short stacking energy: -634.301 Base-Backbone interact. energy: -5.289 local terms energy: -732.833637 where: bonds (distance) C4'-P energy: -125.542 bonds (distance) P-C4' energy: -138.249 flat angles C4'-P-C4' energy: -143.300 flat angles P-C4'-P energy: -107.555 tors. eta vs tors. theta energy: -218.188 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: 2 ===================================== Write number: 297 Temperature: 0.950000 Total energy: -2197.135848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2197.135848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2197.135848 (E_RNA) where: Base-Base interactions energy: -1500.814 where: short stacking energy: -608.377 Base-Backbone interact. energy: -0.562 local terms energy: -695.760535 where: bonds (distance) C4'-P energy: -132.069 bonds (distance) P-C4' energy: -124.569 flat angles C4'-P-C4' energy: -136.083 flat angles P-C4'-P energy: -104.725 tors. eta vs tors. theta energy: -198.315 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: 5 ===================================== Write number: 297 Temperature: 1.000000 Total energy: -2079.189327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2079.189327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2079.189327 (E_RNA) where: Base-Base interactions energy: -1440.092 where: short stacking energy: -595.949 Base-Backbone interact. energy: -1.053 local terms energy: -638.044872 where: bonds (distance) C4'-P energy: -117.543 bonds (distance) P-C4' energy: -111.345 flat angles C4'-P-C4' energy: -147.576 flat angles P-C4'-P energy: -82.567 tors. eta vs tors. theta energy: -179.014 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: 10 ===================================== Write number: 297 Temperature: 1.050000 Total energy: -1902.708905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1902.708905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1902.708905 (E_RNA) where: Base-Base interactions energy: -1266.798 where: short stacking energy: -540.708 Base-Backbone interact. energy: -2.709 local terms energy: -633.201293 where: bonds (distance) C4'-P energy: -114.408 bonds (distance) P-C4' energy: -127.108 flat angles C4'-P-C4' energy: -128.569 flat angles P-C4'-P energy: -90.461 tors. eta vs tors. theta energy: -172.655 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: 297 Temperature: 1.100000 Total energy: -1900.881516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1900.881516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1900.881516 (E_RNA) where: Base-Base interactions energy: -1265.900 where: short stacking energy: -513.897 Base-Backbone interact. energy: 0.629 local terms energy: -635.610549 where: bonds (distance) C4'-P energy: -118.380 bonds (distance) P-C4' energy: -133.690 flat angles C4'-P-C4' energy: -136.086 flat angles P-C4'-P energy: -90.057 tors. eta vs tors. theta energy: -157.397 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 297 Temperature: 1.150000 Total energy: -1673.619449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1673.619449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1673.619449 (E_RNA) where: Base-Base interactions energy: -1092.990 where: short stacking energy: -484.971 Base-Backbone interact. energy: -4.013 local terms energy: -576.617063 where: bonds (distance) C4'-P energy: -111.937 bonds (distance) P-C4' energy: -129.233 flat angles C4'-P-C4' energy: -118.745 flat angles P-C4'-P energy: -80.634 tors. eta vs tors. theta energy: -136.069 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: 1 ===================================== Write number: 297 Temperature: 1.200000 Total energy: -1250.273699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1250.273699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1250.273699 (E_RNA) where: Base-Base interactions energy: -821.425 where: short stacking energy: -329.601 Base-Backbone interact. energy: 1.507 local terms energy: -430.355063 where: bonds (distance) C4'-P energy: -99.959 bonds (distance) P-C4' energy: -95.705 flat angles C4'-P-C4' energy: -99.902 flat angles P-C4'-P energy: -63.881 tors. eta vs tors. theta energy: -70.908 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 297 Temperature: 1.250000 Total energy: -768.718469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -768.718469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -768.718469 (E_RNA) where: Base-Base interactions energy: -385.878 where: short stacking energy: -219.741 Base-Backbone interact. energy: -1.723 local terms energy: -381.118128 where: bonds (distance) C4'-P energy: -109.641 bonds (distance) P-C4' energy: -115.822 flat angles C4'-P-C4' energy: -94.787 flat angles P-C4'-P energy: -49.473 tors. eta vs tors. theta energy: -11.396 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: 9, replica: 3 ===================================== Write number: 297 Temperature: 1.300000 Total energy: -666.829061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -666.829061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -666.829061 (E_RNA) where: Base-Base interactions energy: -303.502 where: short stacking energy: -178.985 Base-Backbone interact. energy: 0.288 local terms energy: -363.615649 where: bonds (distance) C4'-P energy: -101.922 bonds (distance) P-C4' energy: -105.724 flat angles C4'-P-C4' energy: -93.056 flat angles P-C4'-P energy: -64.425 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: 297 Temperature: 1.350000 Total energy: -481.118935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -481.118935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -481.118935 (E_RNA) where: Base-Base interactions energy: -126.591 where: short stacking energy: -117.682 Base-Backbone interact. energy: -4.662 local terms energy: -349.865304 where: bonds (distance) C4'-P energy: -110.145 bonds (distance) P-C4' energy: -111.451 flat angles C4'-P-C4' energy: -97.945 flat angles P-C4'-P energy: -45.746 tors. eta vs tors. theta energy: 15.422 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 298 Temperature: 0.900000 Total energy: -2261.118990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2261.118990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2261.118990 (E_RNA) where: Base-Base interactions energy: -1536.209 where: short stacking energy: -643.439 Base-Backbone interact. energy: -6.646 local terms energy: -718.263932 where: bonds (distance) C4'-P energy: -138.232 bonds (distance) P-C4' energy: -133.605 flat angles C4'-P-C4' energy: -150.906 flat angles P-C4'-P energy: -89.387 tors. eta vs tors. theta energy: -206.134 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: 2 ===================================== Write number: 298 Temperature: 0.950000 Total energy: -2188.758057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2188.758057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2188.758057 (E_RNA) where: Base-Base interactions energy: -1470.055 where: short stacking energy: -617.925 Base-Backbone interact. energy: -2.028 local terms energy: -716.675639 where: bonds (distance) C4'-P energy: -123.812 bonds (distance) P-C4' energy: -135.720 flat angles C4'-P-C4' energy: -153.257 flat angles P-C4'-P energy: -100.090 tors. eta vs tors. theta energy: -203.796 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: 5 ===================================== Write number: 298 Temperature: 1.000000 Total energy: -2063.566530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2063.566530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2063.566530 (E_RNA) where: Base-Base interactions energy: -1398.850 where: short stacking energy: -582.610 Base-Backbone interact. energy: -1.093 local terms energy: -663.623521 where: bonds (distance) C4'-P energy: -126.134 bonds (distance) P-C4' energy: -119.476 flat angles C4'-P-C4' energy: -145.591 flat angles P-C4'-P energy: -80.142 tors. eta vs tors. theta energy: -192.280 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 298 Temperature: 1.050000 Total energy: -1933.665178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1933.665178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1933.665178 (E_RNA) where: Base-Base interactions energy: -1268.933 where: short stacking energy: -548.782 Base-Backbone interact. energy: -1.666 local terms energy: -663.066317 where: bonds (distance) C4'-P energy: -121.694 bonds (distance) P-C4' energy: -138.704 flat angles C4'-P-C4' energy: -151.072 flat angles P-C4'-P energy: -93.140 tors. eta vs tors. theta energy: -158.456 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 298 Temperature: 1.100000 Total energy: -1879.072369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1879.072369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1879.072369 (E_RNA) where: Base-Base interactions energy: -1264.230 where: short stacking energy: -516.730 Base-Backbone interact. energy: -1.765 local terms energy: -613.077270 where: bonds (distance) C4'-P energy: -127.647 bonds (distance) P-C4' energy: -127.872 flat angles C4'-P-C4' energy: -135.927 flat angles P-C4'-P energy: -75.104 tors. eta vs tors. theta energy: -146.527 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 298 Temperature: 1.150000 Total energy: -1647.494782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1647.494782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1647.494782 (E_RNA) where: Base-Base interactions energy: -1050.142 where: short stacking energy: -428.085 Base-Backbone interact. energy: -2.087 local terms energy: -595.265403 where: bonds (distance) C4'-P energy: -109.819 bonds (distance) P-C4' energy: -133.890 flat angles C4'-P-C4' energy: -136.943 flat angles P-C4'-P energy: -74.549 tors. eta vs tors. theta energy: -140.064 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 298 Temperature: 1.200000 Total energy: -1208.692695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1208.692695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1208.692695 (E_RNA) where: Base-Base interactions energy: -706.312 where: short stacking energy: -319.531 Base-Backbone interact. energy: -1.064 local terms energy: -501.316998 where: bonds (distance) C4'-P energy: -117.962 bonds (distance) P-C4' energy: -118.415 flat angles C4'-P-C4' energy: -121.905 flat angles P-C4'-P energy: -62.548 tors. eta vs tors. theta energy: -80.486 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 298 Temperature: 1.250000 Total energy: -879.596164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -879.596164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -879.596164 (E_RNA) where: Base-Base interactions energy: -476.155 where: short stacking energy: -232.592 Base-Backbone interact. energy: -1.675 local terms energy: -401.765994 where: bonds (distance) C4'-P energy: -92.728 bonds (distance) P-C4' energy: -127.965 flat angles C4'-P-C4' energy: -89.253 flat angles P-C4'-P energy: -64.385 tors. eta vs tors. theta energy: -27.435 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: 3 ===================================== Write number: 298 Temperature: 1.300000 Total energy: -716.722549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -716.722549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -716.722549 (E_RNA) where: Base-Base interactions energy: -352.919 where: short stacking energy: -201.342 Base-Backbone interact. energy: 0.146 local terms energy: -363.949664 where: bonds (distance) C4'-P energy: -87.526 bonds (distance) P-C4' energy: -122.601 flat angles C4'-P-C4' energy: -95.595 flat angles P-C4'-P energy: -54.792 tors. eta vs tors. theta energy: -3.436 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: 10, replica: 4 ===================================== Write number: 298 Temperature: 1.350000 Total energy: -484.142463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -484.142463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -484.142463 (E_RNA) where: Base-Base interactions energy: -159.759 where: short stacking energy: -124.230 Base-Backbone interact. energy: 1.800 local terms energy: -326.182965 where: bonds (distance) C4'-P energy: -96.303 bonds (distance) P-C4' energy: -122.204 flat angles C4'-P-C4' energy: -89.879 flat angles P-C4'-P energy: -57.390 tors. eta vs tors. theta energy: 39.592 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 299 Temperature: 0.900000 Total energy: -2233.311411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2233.311411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2233.311411 (E_RNA) where: Base-Base interactions energy: -1501.985 where: short stacking energy: -612.072 Base-Backbone interact. energy: -0.657 local terms energy: -730.670207 where: bonds (distance) C4'-P energy: -138.147 bonds (distance) P-C4' energy: -143.223 flat angles C4'-P-C4' energy: -148.296 flat angles P-C4'-P energy: -106.551 tors. eta vs tors. theta energy: -194.452 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 299 Temperature: 0.950000 Total energy: -2196.444860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2196.444860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2196.444860 (E_RNA) where: Base-Base interactions energy: -1487.527 where: short stacking energy: -617.468 Base-Backbone interact. energy: -0.853 local terms energy: -708.065768 where: bonds (distance) C4'-P energy: -120.154 bonds (distance) P-C4' energy: -136.428 flat angles C4'-P-C4' energy: -151.332 flat angles P-C4'-P energy: -92.425 tors. eta vs tors. theta energy: -207.726 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: 5 ===================================== Write number: 299 Temperature: 1.000000 Total energy: -2081.438274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2081.438274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2081.438274 (E_RNA) where: Base-Base interactions energy: -1416.451 where: short stacking energy: -605.051 Base-Backbone interact. energy: -2.446 local terms energy: -662.542091 where: bonds (distance) C4'-P energy: -115.761 bonds (distance) P-C4' energy: -126.584 flat angles C4'-P-C4' energy: -147.072 flat angles P-C4'-P energy: -96.780 tors. eta vs tors. theta energy: -176.345 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: 10 ===================================== Write number: 299 Temperature: 1.050000 Total energy: -1976.903186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1976.903186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1976.903186 (E_RNA) where: Base-Base interactions energy: -1323.013 where: short stacking energy: -574.751 Base-Backbone interact. energy: -0.875 local terms energy: -653.015376 where: bonds (distance) C4'-P energy: -124.212 bonds (distance) P-C4' energy: -129.094 flat angles C4'-P-C4' energy: -133.417 flat angles P-C4'-P energy: -85.365 tors. eta vs tors. theta energy: -180.928 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: 299 Temperature: 1.100000 Total energy: -1872.850838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1872.850838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1872.850838 (E_RNA) where: Base-Base interactions energy: -1260.846 where: short stacking energy: -540.054 Base-Backbone interact. energy: -3.970 local terms energy: -608.035787 where: bonds (distance) C4'-P energy: -111.304 bonds (distance) P-C4' energy: -133.916 flat angles C4'-P-C4' energy: -131.861 flat angles P-C4'-P energy: -74.053 tors. eta vs tors. theta energy: -156.902 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 299 Temperature: 1.150000 Total energy: -1650.780667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1650.780667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1650.780667 (E_RNA) where: Base-Base interactions energy: -1069.155 where: short stacking energy: -509.635 Base-Backbone interact. energy: 0.424 local terms energy: -582.050149 where: bonds (distance) C4'-P energy: -111.616 bonds (distance) P-C4' energy: -114.319 flat angles C4'-P-C4' energy: -126.212 flat angles P-C4'-P energy: -83.494 tors. eta vs tors. theta energy: -146.410 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: 1 ===================================== Write number: 299 Temperature: 1.200000 Total energy: -1199.127750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1199.127750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1199.127750 (E_RNA) where: Base-Base interactions energy: -742.263 where: short stacking energy: -322.654 Base-Backbone interact. energy: -2.534 local terms energy: -454.330685 where: bonds (distance) C4'-P energy: -101.229 bonds (distance) P-C4' energy: -108.408 flat angles C4'-P-C4' energy: -109.490 flat angles P-C4'-P energy: -72.710 tors. eta vs tors. theta energy: -62.493 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 299 Temperature: 1.250000 Total energy: -885.816784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -885.816784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -885.816784 (E_RNA) where: Base-Base interactions energy: -467.915 where: short stacking energy: -243.551 Base-Backbone interact. energy: -1.041 local terms energy: -416.860466 where: bonds (distance) C4'-P energy: -124.751 bonds (distance) P-C4' energy: -116.443 flat angles C4'-P-C4' energy: -93.871 flat angles P-C4'-P energy: -64.100 tors. eta vs tors. theta energy: -17.696 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: 3 ===================================== Write number: 299 Temperature: 1.300000 Total energy: -756.899146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -756.899146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -756.899146 (E_RNA) where: Base-Base interactions energy: -390.883 where: short stacking energy: -213.115 Base-Backbone interact. energy: -0.881 local terms energy: -365.135760 where: bonds (distance) C4'-P energy: -92.839 bonds (distance) P-C4' energy: -111.390 flat angles C4'-P-C4' energy: -100.814 flat angles P-C4'-P energy: -44.311 tors. eta vs tors. theta energy: -15.781 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 299 Temperature: 1.350000 Total energy: -523.833771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -523.833771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -523.833771 (E_RNA) where: Base-Base interactions energy: -192.776 where: short stacking energy: -131.332 Base-Backbone interact. energy: -0.758 local terms energy: -330.299589 where: bonds (distance) C4'-P energy: -112.903 bonds (distance) P-C4' energy: -87.837 flat angles C4'-P-C4' energy: -97.503 flat angles P-C4'-P energy: -44.719 tors. eta vs tors. theta energy: 12.663 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 300 Temperature: 0.900000 Total energy: -2276.872570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2276.872570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2276.872570 (E_RNA) where: Base-Base interactions energy: -1558.798 where: short stacking energy: -655.635 Base-Backbone interact. energy: -3.005 local terms energy: -715.069605 where: bonds (distance) C4'-P energy: -130.833 bonds (distance) P-C4' energy: -124.387 flat angles C4'-P-C4' energy: -156.177 flat angles P-C4'-P energy: -94.863 tors. eta vs tors. theta energy: -208.810 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: 2, replica: 7 ===================================== Write number: 300 Temperature: 0.950000 Total energy: -2208.420616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2208.420616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2208.420616 (E_RNA) where: Base-Base interactions energy: -1508.291 where: short stacking energy: -646.527 Base-Backbone interact. energy: -3.461 local terms energy: -696.668691 where: bonds (distance) C4'-P energy: -120.337 bonds (distance) P-C4' energy: -129.376 flat angles C4'-P-C4' energy: -152.546 flat angles P-C4'-P energy: -81.454 tors. eta vs tors. theta energy: -212.956 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 300 Temperature: 1.000000 Total energy: -2100.206449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2100.206449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2100.206449 (E_RNA) where: Base-Base interactions energy: -1422.288 where: short stacking energy: -594.051 Base-Backbone interact. energy: 0.670 local terms energy: -678.587714 where: bonds (distance) C4'-P energy: -125.967 bonds (distance) P-C4' energy: -123.526 flat angles C4'-P-C4' energy: -147.557 flat angles P-C4'-P energy: -94.680 tors. eta vs tors. theta energy: -186.858 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: 10 ===================================== Write number: 300 Temperature: 1.050000 Total energy: -1973.177426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1973.177426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1973.177426 (E_RNA) where: Base-Base interactions energy: -1327.918 where: short stacking energy: -566.937 Base-Backbone interact. energy: -2.318 local terms energy: -642.940818 where: bonds (distance) C4'-P energy: -116.510 bonds (distance) P-C4' energy: -127.556 flat angles C4'-P-C4' energy: -136.425 flat angles P-C4'-P energy: -80.704 tors. eta vs tors. theta energy: -181.745 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 300 Temperature: 1.100000 Total energy: -1892.932029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1892.932029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1892.932029 (E_RNA) where: Base-Base interactions energy: -1285.096 where: short stacking energy: -545.415 Base-Backbone interact. energy: -2.449 local terms energy: -605.387720 where: bonds (distance) C4'-P energy: -103.964 bonds (distance) P-C4' energy: -115.037 flat angles C4'-P-C4' energy: -139.071 flat angles P-C4'-P energy: -81.560 tors. eta vs tors. theta energy: -165.757 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: 6 ===================================== Write number: 300 Temperature: 1.150000 Total energy: -1620.065108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1620.065108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1620.065108 (E_RNA) where: Base-Base interactions energy: -1064.646 where: short stacking energy: -481.035 Base-Backbone interact. energy: 1.598 local terms energy: -557.016769 where: bonds (distance) C4'-P energy: -98.098 bonds (distance) P-C4' energy: -119.439 flat angles C4'-P-C4' energy: -139.451 flat angles P-C4'-P energy: -75.479 tors. eta vs tors. theta energy: -124.549 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 300 Temperature: 1.200000 Total energy: -1281.598471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1281.598471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1281.598471 (E_RNA) where: Base-Base interactions energy: -810.262 where: short stacking energy: -343.350 Base-Backbone interact. energy: -2.886 local terms energy: -469.512934 where: bonds (distance) C4'-P energy: -119.441 bonds (distance) P-C4' energy: -115.765 flat angles C4'-P-C4' energy: -95.984 flat angles P-C4'-P energy: -68.520 tors. eta vs tors. theta energy: -69.802 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 1.062 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 300 Temperature: 1.250000 Total energy: -861.720976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -861.720976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -861.720976 (E_RNA) where: Base-Base interactions energy: -457.570 where: short stacking energy: -252.393 Base-Backbone interact. energy: 4.883 local terms energy: -409.033937 where: bonds (distance) C4'-P energy: -122.821 bonds (distance) P-C4' energy: -128.823 flat angles C4'-P-C4' energy: -78.796 flat angles P-C4'-P energy: -54.442 tors. eta vs tors. theta energy: -24.151 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 300 Temperature: 1.300000 Total energy: -829.892983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -829.892983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -829.892983 (E_RNA) where: Base-Base interactions energy: -458.498 where: short stacking energy: -237.245 Base-Backbone interact. energy: 0.042 local terms energy: -371.794297 where: bonds (distance) C4'-P energy: -103.996 bonds (distance) P-C4' energy: -105.950 flat angles C4'-P-C4' energy: -85.963 flat angles P-C4'-P energy: -51.474 tors. eta vs tors. theta energy: -24.411 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.357 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 300 Temperature: 1.350000 Total energy: -557.856972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -557.856972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -557.856972 (E_RNA) where: Base-Base interactions energy: -208.684 where: short stacking energy: -141.055 Base-Backbone interact. energy: 0.622 local terms energy: -349.795153 where: bonds (distance) C4'-P energy: -114.424 bonds (distance) P-C4' energy: -127.632 flat angles C4'-P-C4' energy: -89.299 flat angles P-C4'-P energy: -41.079 tors. eta vs tors. theta energy: 22.638 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 301 Temperature: 0.900000 Total energy: -2277.325967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2277.325967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2277.325967 (E_RNA) where: Base-Base interactions energy: -1561.096 where: short stacking energy: -646.682 Base-Backbone interact. energy: -2.656 local terms energy: -713.573446 where: bonds (distance) C4'-P energy: -116.133 bonds (distance) P-C4' energy: -140.922 flat angles C4'-P-C4' energy: -151.692 flat angles P-C4'-P energy: -83.498 tors. eta vs tors. theta energy: -221.328 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 301 Temperature: 0.950000 Total energy: -2204.105686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2204.105686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2204.105686 (E_RNA) where: Base-Base interactions energy: -1490.822 where: short stacking energy: -602.893 Base-Backbone interact. energy: -3.323 local terms energy: -709.961343 where: bonds (distance) C4'-P energy: -117.737 bonds (distance) P-C4' energy: -144.892 flat angles C4'-P-C4' energy: -154.859 flat angles P-C4'-P energy: -91.072 tors. eta vs tors. theta energy: -201.401 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 301 Temperature: 1.000000 Total energy: -2124.105014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2124.105014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2124.105014 (E_RNA) where: Base-Base interactions energy: -1449.833 where: short stacking energy: -613.730 Base-Backbone interact. energy: 2.199 local terms energy: -676.470133 where: bonds (distance) C4'-P energy: -120.012 bonds (distance) P-C4' energy: -119.963 flat angles C4'-P-C4' energy: -145.346 flat angles P-C4'-P energy: -94.659 tors. eta vs tors. theta energy: -196.490 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 301 Temperature: 1.050000 Total energy: -1919.644854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1919.644854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1919.644854 (E_RNA) where: Base-Base interactions energy: -1282.021 where: short stacking energy: -523.429 Base-Backbone interact. energy: -0.269 local terms energy: -637.354287 where: bonds (distance) C4'-P energy: -108.973 bonds (distance) P-C4' energy: -129.289 flat angles C4'-P-C4' energy: -149.196 flat angles P-C4'-P energy: -89.751 tors. eta vs tors. theta energy: -160.145 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: 5, replica: 8 ===================================== Write number: 301 Temperature: 1.100000 Total energy: -1899.334330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1899.334330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1899.334330 (E_RNA) where: Base-Base interactions energy: -1282.742 where: short stacking energy: -543.310 Base-Backbone interact. energy: -2.234 local terms energy: -614.539343 where: bonds (distance) C4'-P energy: -114.727 bonds (distance) P-C4' energy: -124.196 flat angles C4'-P-C4' energy: -132.811 flat angles P-C4'-P energy: -83.717 tors. eta vs tors. theta energy: -159.088 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.181 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 301 Temperature: 1.150000 Total energy: -1602.998234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1602.998234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1602.998234 (E_RNA) where: Base-Base interactions energy: -1059.150 where: short stacking energy: -471.945 Base-Backbone interact. energy: -1.370 local terms energy: -542.478607 where: bonds (distance) C4'-P energy: -96.761 bonds (distance) P-C4' energy: -107.805 flat angles C4'-P-C4' energy: -124.543 flat angles P-C4'-P energy: -78.983 tors. eta vs tors. theta energy: -134.388 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 301 Temperature: 1.200000 Total energy: -1307.466761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1307.466761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1307.466761 (E_RNA) where: Base-Base interactions energy: -807.007 where: short stacking energy: -340.510 Base-Backbone interact. energy: -4.011 local terms energy: -496.448695 where: bonds (distance) C4'-P energy: -116.150 bonds (distance) P-C4' energy: -124.043 flat angles C4'-P-C4' energy: -105.861 flat angles P-C4'-P energy: -83.093 tors. eta vs tors. theta energy: -67.302 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 301 Temperature: 1.250000 Total energy: -837.454996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -837.454996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -837.454996 (E_RNA) where: Base-Base interactions energy: -432.039 where: short stacking energy: -228.920 Base-Backbone interact. energy: -1.672 local terms energy: -403.743961 where: bonds (distance) C4'-P energy: -101.451 bonds (distance) P-C4' energy: -125.532 flat angles C4'-P-C4' energy: -98.056 flat angles P-C4'-P energy: -68.555 tors. eta vs tors. theta energy: -10.150 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 301 Temperature: 1.300000 Total energy: -811.131696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -811.131696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -811.131696 (E_RNA) where: Base-Base interactions energy: -432.832 where: short stacking energy: -245.200 Base-Backbone interact. energy: -2.018 local terms energy: -376.282551 where: bonds (distance) C4'-P energy: -107.230 bonds (distance) P-C4' energy: -122.588 flat angles C4'-P-C4' energy: -79.457 flat angles P-C4'-P energy: -49.326 tors. eta vs tors. theta energy: -17.683 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 301 Temperature: 1.350000 Total energy: -480.007042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -480.007042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -480.007042 (E_RNA) where: Base-Base interactions energy: -184.800 where: short stacking energy: -126.047 Base-Backbone interact. energy: -0.149 local terms energy: -295.058195 where: bonds (distance) C4'-P energy: -113.809 bonds (distance) P-C4' energy: -111.241 flat angles C4'-P-C4' energy: -55.863 flat angles P-C4'-P energy: -53.353 tors. eta vs tors. theta energy: 39.207 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 302 Temperature: 0.900000 Total energy: -2296.241641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2296.241641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2296.241641 (E_RNA) where: Base-Base interactions energy: -1561.120 where: short stacking energy: -633.419 Base-Backbone interact. energy: -1.093 local terms energy: -734.028878 where: bonds (distance) C4'-P energy: -135.703 bonds (distance) P-C4' energy: -132.645 flat angles C4'-P-C4' energy: -155.219 flat angles P-C4'-P energy: -94.256 tors. eta vs tors. theta energy: -216.206 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: 7 ===================================== Write number: 302 Temperature: 0.950000 Total energy: -2203.126530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2203.126530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2203.126530 (E_RNA) where: Base-Base interactions energy: -1478.135 where: short stacking energy: -639.006 Base-Backbone interact. energy: -1.117 local terms energy: -723.874333 where: bonds (distance) C4'-P energy: -126.670 bonds (distance) P-C4' energy: -141.358 flat angles C4'-P-C4' energy: -153.297 flat angles P-C4'-P energy: -104.660 tors. eta vs tors. theta energy: -197.889 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 302 Temperature: 1.000000 Total energy: -2067.130182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2067.130182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2067.130182 (E_RNA) where: Base-Base interactions energy: -1404.909 where: short stacking energy: -575.565 Base-Backbone interact. energy: -1.597 local terms energy: -660.624213 where: bonds (distance) C4'-P energy: -123.405 bonds (distance) P-C4' energy: -127.012 flat angles C4'-P-C4' energy: -145.552 flat angles P-C4'-P energy: -79.166 tors. eta vs tors. theta energy: -185.489 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: 302 Temperature: 1.050000 Total energy: -1908.366184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1908.366184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1908.366184 (E_RNA) where: Base-Base interactions energy: -1277.120 where: short stacking energy: -552.395 Base-Backbone interact. energy: -1.374 local terms energy: -629.872069 where: bonds (distance) C4'-P energy: -123.198 bonds (distance) P-C4' energy: -125.742 flat angles C4'-P-C4' energy: -124.936 flat angles P-C4'-P energy: -93.610 tors. eta vs tors. theta energy: -162.385 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 302 Temperature: 1.100000 Total energy: -1847.822898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1847.822898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1847.822898 (E_RNA) where: Base-Base interactions energy: -1239.765 where: short stacking energy: -523.904 Base-Backbone interact. energy: -0.502 local terms energy: -607.798026 where: bonds (distance) C4'-P energy: -111.089 bonds (distance) P-C4' energy: -133.441 flat angles C4'-P-C4' energy: -122.199 flat angles P-C4'-P energy: -92.777 tors. eta vs tors. theta energy: -148.292 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.242 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 302 Temperature: 1.150000 Total energy: -1627.286006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1627.286006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1627.286006 (E_RNA) where: Base-Base interactions energy: -1103.371 where: short stacking energy: -458.838 Base-Backbone interact. energy: -3.205 local terms energy: -520.709926 where: bonds (distance) C4'-P energy: -111.748 bonds (distance) P-C4' energy: -109.020 flat angles C4'-P-C4' energy: -126.481 flat angles P-C4'-P energy: -61.300 tors. eta vs tors. theta energy: -112.161 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 302 Temperature: 1.200000 Total energy: -1320.176092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1320.176092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1320.176092 (E_RNA) where: Base-Base interactions energy: -818.594 where: short stacking energy: -375.107 Base-Backbone interact. energy: -4.288 local terms energy: -497.294373 where: bonds (distance) C4'-P energy: -118.002 bonds (distance) P-C4' energy: -111.843 flat angles C4'-P-C4' energy: -112.887 flat angles P-C4'-P energy: -66.345 tors. eta vs tors. theta energy: -88.217 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 302 Temperature: 1.250000 Total energy: -786.991347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -786.991347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -786.991347 (E_RNA) where: Base-Base interactions energy: -414.721 where: short stacking energy: -242.402 Base-Backbone interact. energy: 0.790 local terms energy: -373.060470 where: bonds (distance) C4'-P energy: -114.004 bonds (distance) P-C4' energy: -108.308 flat angles C4'-P-C4' energy: -103.828 flat angles P-C4'-P energy: -55.689 tors. eta vs tors. theta energy: 8.769 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: 9 ===================================== Write number: 302 Temperature: 1.300000 Total energy: -763.124064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -763.124064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -763.124064 (E_RNA) where: Base-Base interactions energy: -363.889 where: short stacking energy: -209.522 Base-Backbone interact. energy: 2.276 local terms energy: -401.511050 where: bonds (distance) C4'-P energy: -109.641 bonds (distance) P-C4' energy: -119.062 flat angles C4'-P-C4' energy: -107.761 flat angles P-C4'-P energy: -47.643 tors. eta vs tors. theta energy: -17.403 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 302 Temperature: 1.350000 Total energy: -471.474097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -471.474097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -471.474097 (E_RNA) where: Base-Base interactions energy: -141.305 where: short stacking energy: -102.777 Base-Backbone interact. energy: 0.128 local terms energy: -330.297112 where: bonds (distance) C4'-P energy: -105.988 bonds (distance) P-C4' energy: -118.566 flat angles C4'-P-C4' energy: -93.202 flat angles P-C4'-P energy: -51.131 tors. eta vs tors. theta energy: 38.590 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: 2 ===================================== Write number: 303 Temperature: 0.900000 Total energy: -2286.865382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2286.865382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2286.865382 (E_RNA) where: Base-Base interactions energy: -1559.761 where: short stacking energy: -628.347 Base-Backbone interact. energy: -4.652 local terms energy: -722.451910 where: bonds (distance) C4'-P energy: -148.582 bonds (distance) P-C4' energy: -131.748 flat angles C4'-P-C4' energy: -150.246 flat angles P-C4'-P energy: -86.294 tors. eta vs tors. theta energy: -205.581 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 303 Temperature: 0.950000 Total energy: -2196.439301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2196.439301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2196.439301 (E_RNA) where: Base-Base interactions energy: -1483.512 where: short stacking energy: -582.966 Base-Backbone interact. energy: -4.159 local terms energy: -709.534367 where: bonds (distance) C4'-P energy: -127.703 bonds (distance) P-C4' energy: -133.360 flat angles C4'-P-C4' energy: -148.422 flat angles P-C4'-P energy: -103.324 tors. eta vs tors. theta energy: -196.725 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.767 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 303 Temperature: 1.000000 Total energy: -2112.870702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2112.870702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2112.870702 (E_RNA) where: Base-Base interactions energy: -1430.764 where: short stacking energy: -594.107 Base-Backbone interact. energy: -0.790 local terms energy: -681.316242 where: bonds (distance) C4'-P energy: -123.995 bonds (distance) P-C4' energy: -112.269 flat angles C4'-P-C4' energy: -156.158 flat angles P-C4'-P energy: -99.032 tors. eta vs tors. theta energy: -189.862 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: 10 ===================================== Write number: 303 Temperature: 1.050000 Total energy: -1937.328334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1937.328334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1937.328334 (E_RNA) where: Base-Base interactions energy: -1317.344 where: short stacking energy: -559.954 Base-Backbone interact. energy: -3.522 local terms energy: -616.462127 where: bonds (distance) C4'-P energy: -117.404 bonds (distance) P-C4' energy: -108.891 flat angles C4'-P-C4' energy: -136.215 flat angles P-C4'-P energy: -83.536 tors. eta vs tors. theta energy: -170.416 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: 8 ===================================== Write number: 303 Temperature: 1.100000 Total energy: -1871.580283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1871.580283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1871.580283 (E_RNA) where: Base-Base interactions energy: -1249.488 where: short stacking energy: -551.149 Base-Backbone interact. energy: -1.197 local terms energy: -620.895324 where: bonds (distance) C4'-P energy: -111.604 bonds (distance) P-C4' energy: -119.963 flat angles C4'-P-C4' energy: -138.453 flat angles P-C4'-P energy: -84.330 tors. eta vs tors. theta energy: -166.546 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: 6 ===================================== Write number: 303 Temperature: 1.150000 Total energy: -1621.421400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1621.421400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1621.421400 (E_RNA) where: Base-Base interactions energy: -1062.234 where: short stacking energy: -473.904 Base-Backbone interact. energy: 0.406 local terms energy: -559.592656 where: bonds (distance) C4'-P energy: -106.911 bonds (distance) P-C4' energy: -131.752 flat angles C4'-P-C4' energy: -121.989 flat angles P-C4'-P energy: -77.216 tors. eta vs tors. theta energy: -121.724 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 303 Temperature: 1.200000 Total energy: -1299.089490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1299.089490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1299.089490 (E_RNA) where: Base-Base interactions energy: -815.476 where: short stacking energy: -342.429 Base-Backbone interact. energy: -0.652 local terms energy: -482.962466 where: bonds (distance) C4'-P energy: -106.500 bonds (distance) P-C4' energy: -113.288 flat angles C4'-P-C4' energy: -119.564 flat angles P-C4'-P energy: -62.588 tors. eta vs tors. theta energy: -81.022 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 303 Temperature: 1.250000 Total energy: -848.296570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -848.296570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -848.296570 (E_RNA) where: Base-Base interactions energy: -441.103 where: short stacking energy: -232.408 Base-Backbone interact. energy: 0.932 local terms energy: -408.125580 where: bonds (distance) C4'-P energy: -93.085 bonds (distance) P-C4' energy: -126.690 flat angles C4'-P-C4' energy: -108.563 flat angles P-C4'-P energy: -58.642 tors. eta vs tors. theta energy: -21.146 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: 9 ===================================== Write number: 303 Temperature: 1.300000 Total energy: -755.562825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -755.562825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -755.562825 (E_RNA) where: Base-Base interactions energy: -396.204 where: short stacking energy: -201.079 Base-Backbone interact. energy: -1.152 local terms energy: -358.206061 where: bonds (distance) C4'-P energy: -108.285 bonds (distance) P-C4' energy: -107.213 flat angles C4'-P-C4' energy: -72.166 flat angles P-C4'-P energy: -69.012 tors. eta vs tors. theta energy: -1.529 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 303 Temperature: 1.350000 Total energy: -496.639993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -496.639993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -496.639993 (E_RNA) where: Base-Base interactions energy: -157.460 where: short stacking energy: -132.635 Base-Backbone interact. energy: -0.312 local terms energy: -338.868036 where: bonds (distance) C4'-P energy: -112.821 bonds (distance) P-C4' energy: -106.486 flat angles C4'-P-C4' energy: -100.495 flat angles P-C4'-P energy: -58.108 tors. eta vs tors. theta energy: 39.042 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: 1, replica: 2 ===================================== Write number: 304 Temperature: 0.900000 Total energy: -2262.409546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2262.409546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2262.409546 (E_RNA) where: Base-Base interactions energy: -1554.992 where: short stacking energy: -625.975 Base-Backbone interact. energy: -1.847 local terms energy: -705.571050 where: bonds (distance) C4'-P energy: -134.952 bonds (distance) P-C4' energy: -142.034 flat angles C4'-P-C4' energy: -130.840 flat angles P-C4'-P energy: -96.512 tors. eta vs tors. theta energy: -201.234 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: 7 ===================================== Write number: 304 Temperature: 0.950000 Total energy: -2223.143183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2223.143183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2223.143183 (E_RNA) where: Base-Base interactions energy: -1521.986 where: short stacking energy: -606.695 Base-Backbone interact. energy: -4.064 local terms energy: -697.493947 where: bonds (distance) C4'-P energy: -113.015 bonds (distance) P-C4' energy: -127.480 flat angles C4'-P-C4' energy: -154.356 flat angles P-C4'-P energy: -91.238 tors. eta vs tors. theta energy: -211.404 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.400 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 304 Temperature: 1.000000 Total energy: -2094.233842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2094.233842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2094.233842 (E_RNA) where: Base-Base interactions energy: -1404.176 where: short stacking energy: -592.651 Base-Backbone interact. energy: 0.501 local terms energy: -690.558842 where: bonds (distance) C4'-P energy: -125.885 bonds (distance) P-C4' energy: -115.669 flat angles C4'-P-C4' energy: -157.343 flat angles P-C4'-P energy: -100.284 tors. eta vs tors. theta energy: -191.379 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: 304 Temperature: 1.050000 Total energy: -1936.915172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1936.915172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1936.915172 (E_RNA) where: Base-Base interactions energy: -1317.634 where: short stacking energy: -580.921 Base-Backbone interact. energy: -3.660 local terms energy: -615.620825 where: bonds (distance) C4'-P energy: -115.268 bonds (distance) P-C4' energy: -116.243 flat angles C4'-P-C4' energy: -144.323 flat angles P-C4'-P energy: -76.376 tors. eta vs tors. theta energy: -163.411 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: 8 ===================================== Write number: 304 Temperature: 1.100000 Total energy: -1824.868874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1824.868874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1824.868874 (E_RNA) where: Base-Base interactions energy: -1243.298 where: short stacking energy: -506.487 Base-Backbone interact. energy: 1.061 local terms energy: -582.631710 where: bonds (distance) C4'-P energy: -119.912 bonds (distance) P-C4' energy: -123.117 flat angles C4'-P-C4' energy: -126.787 flat angles P-C4'-P energy: -64.554 tors. eta vs tors. theta energy: -148.262 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: 6, replica: 6 ===================================== Write number: 304 Temperature: 1.150000 Total energy: -1597.608457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1597.608457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1597.608457 (E_RNA) where: Base-Base interactions energy: -1043.663 where: short stacking energy: -474.552 Base-Backbone interact. energy: -2.218 local terms energy: -551.727424 where: bonds (distance) C4'-P energy: -123.685 bonds (distance) P-C4' energy: -99.181 flat angles C4'-P-C4' energy: -131.837 flat angles P-C4'-P energy: -66.117 tors. eta vs tors. theta energy: -130.907 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 304 Temperature: 1.200000 Total energy: -1308.660390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1308.660390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1308.660390 (E_RNA) where: Base-Base interactions energy: -814.339 where: short stacking energy: -348.298 Base-Backbone interact. energy: 3.039 local terms energy: -497.729978 where: bonds (distance) C4'-P energy: -107.786 bonds (distance) P-C4' energy: -115.661 flat angles C4'-P-C4' energy: -118.189 flat angles P-C4'-P energy: -65.858 tors. eta vs tors. theta energy: -90.236 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.370 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 304 Temperature: 1.250000 Total energy: -855.995715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -855.995715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -855.995715 (E_RNA) where: Base-Base interactions energy: -432.522 where: short stacking energy: -224.887 Base-Backbone interact. energy: -1.683 local terms energy: -421.790408 where: bonds (distance) C4'-P energy: -104.559 bonds (distance) P-C4' energy: -119.763 flat angles C4'-P-C4' energy: -104.179 flat angles P-C4'-P energy: -55.070 tors. eta vs tors. theta energy: -38.220 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 304 Temperature: 1.300000 Total energy: -725.013457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -725.013457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -725.013457 (E_RNA) where: Base-Base interactions energy: -387.026 where: short stacking energy: -209.283 Base-Backbone interact. energy: -1.718 local terms energy: -336.269299 where: bonds (distance) C4'-P energy: -103.251 bonds (distance) P-C4' energy: -103.507 flat angles C4'-P-C4' energy: -76.926 flat angles P-C4'-P energy: -45.142 tors. eta vs tors. theta energy: -7.444 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: 4 ===================================== Write number: 304 Temperature: 1.350000 Total energy: -488.470635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -488.470635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -488.470635 (E_RNA) where: Base-Base interactions energy: -153.733 where: short stacking energy: -139.238 Base-Backbone interact. energy: 2.985 local terms energy: -337.722333 where: bonds (distance) C4'-P energy: -96.156 bonds (distance) P-C4' energy: -116.396 flat angles C4'-P-C4' energy: -81.769 flat angles P-C4'-P energy: -63.049 tors. eta vs tors. theta energy: 19.647 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: 2 ===================================== Write number: 305 Temperature: 0.900000 Total energy: -2287.886818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2287.886818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2287.886818 (E_RNA) where: Base-Base interactions energy: -1575.878 where: short stacking energy: -646.347 Base-Backbone interact. energy: -0.809 local terms energy: -711.199597 where: bonds (distance) C4'-P energy: -134.382 bonds (distance) P-C4' energy: -139.947 flat angles C4'-P-C4' energy: -145.839 flat angles P-C4'-P energy: -85.422 tors. eta vs tors. theta energy: -205.609 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 305 Temperature: 0.950000 Total energy: -2226.545751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2226.545751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2226.545751 (E_RNA) where: Base-Base interactions energy: -1525.513 where: short stacking energy: -636.293 Base-Backbone interact. energy: -4.447 local terms energy: -696.586253 where: bonds (distance) C4'-P energy: -114.627 bonds (distance) P-C4' energy: -128.689 flat angles C4'-P-C4' energy: -141.553 flat angles P-C4'-P energy: -109.461 tors. eta vs tors. theta energy: -202.256 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 305 Temperature: 1.000000 Total energy: -2116.884482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2116.884482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2116.884482 (E_RNA) where: Base-Base interactions energy: -1415.693 where: short stacking energy: -602.698 Base-Backbone interact. energy: -1.055 local terms energy: -700.442316 where: bonds (distance) C4'-P energy: -133.992 bonds (distance) P-C4' energy: -125.402 flat angles C4'-P-C4' energy: -155.529 flat angles P-C4'-P energy: -101.953 tors. eta vs tors. theta energy: -183.567 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.305 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 305 Temperature: 1.050000 Total energy: -1943.456090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1943.456090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1943.456090 (E_RNA) where: Base-Base interactions energy: -1289.402 where: short stacking energy: -571.337 Base-Backbone interact. energy: -2.699 local terms energy: -651.355338 where: bonds (distance) C4'-P energy: -102.138 bonds (distance) P-C4' energy: -122.499 flat angles C4'-P-C4' energy: -147.317 flat angles P-C4'-P energy: -107.799 tors. eta vs tors. theta energy: -171.603 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 305 Temperature: 1.100000 Total energy: -1865.307481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1865.307481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1865.307481 (E_RNA) where: Base-Base interactions energy: -1239.797 where: short stacking energy: -504.991 Base-Backbone interact. energy: -4.732 local terms energy: -620.778780 where: bonds (distance) C4'-P energy: -110.414 bonds (distance) P-C4' energy: -131.520 flat angles C4'-P-C4' energy: -136.831 flat angles P-C4'-P energy: -90.905 tors. eta vs tors. theta energy: -151.108 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: 6 ===================================== Write number: 305 Temperature: 1.150000 Total energy: -1558.352449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1558.352449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1558.352449 (E_RNA) where: Base-Base interactions energy: -984.409 where: short stacking energy: -432.488 Base-Backbone interact. energy: -0.588 local terms energy: -573.356220 where: bonds (distance) C4'-P energy: -119.540 bonds (distance) P-C4' energy: -127.423 flat angles C4'-P-C4' energy: -112.922 flat angles P-C4'-P energy: -90.172 tors. eta vs tors. theta energy: -123.299 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 305 Temperature: 1.200000 Total energy: -1298.964385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1298.964385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1298.964385 (E_RNA) where: Base-Base interactions energy: -784.197 where: short stacking energy: -336.974 Base-Backbone interact. energy: -2.886 local terms energy: -514.425008 where: bonds (distance) C4'-P energy: -129.904 bonds (distance) P-C4' energy: -125.561 flat angles C4'-P-C4' energy: -114.506 flat angles P-C4'-P energy: -81.898 tors. eta vs tors. theta energy: -62.557 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 2.544 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 305 Temperature: 1.250000 Total energy: -768.605243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -768.605243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -768.605243 (E_RNA) where: Base-Base interactions energy: -357.735 where: short stacking energy: -207.421 Base-Backbone interact. energy: -0.174 local terms energy: -410.696320 where: bonds (distance) C4'-P energy: -106.686 bonds (distance) P-C4' energy: -139.841 flat angles C4'-P-C4' energy: -96.489 flat angles P-C4'-P energy: -67.342 tors. eta vs tors. theta energy: -0.338 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 305 Temperature: 1.300000 Total energy: -707.656758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -707.656758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -707.656758 (E_RNA) where: Base-Base interactions energy: -327.169 where: short stacking energy: -196.985 Base-Backbone interact. energy: -1.649 local terms energy: -378.839313 where: bonds (distance) C4'-P energy: -107.580 bonds (distance) P-C4' energy: -107.025 flat angles C4'-P-C4' energy: -83.960 flat angles P-C4'-P energy: -69.925 tors. eta vs tors. theta energy: -10.349 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 305 Temperature: 1.350000 Total energy: -481.635307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -481.635307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -481.635307 (E_RNA) where: Base-Base interactions energy: -125.651 where: short stacking energy: -111.041 Base-Backbone interact. energy: 1.218 local terms energy: -357.202232 where: bonds (distance) C4'-P energy: -116.241 bonds (distance) P-C4' energy: -109.937 flat angles C4'-P-C4' energy: -97.785 flat angles P-C4'-P energy: -49.572 tors. eta vs tors. theta energy: 16.333 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 306 Temperature: 0.900000 Total energy: -2295.991315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2295.991315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2295.991315 (E_RNA) where: Base-Base interactions energy: -1575.845 where: short stacking energy: -653.233 Base-Backbone interact. energy: -3.331 local terms energy: -716.815855 where: bonds (distance) C4'-P energy: -127.017 bonds (distance) P-C4' energy: -114.835 flat angles C4'-P-C4' energy: -163.035 flat angles P-C4'-P energy: -103.089 tors. eta vs tors. theta energy: -208.840 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: 2 ===================================== Write number: 306 Temperature: 0.950000 Total energy: -2216.712518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2216.712518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2216.712518 (E_RNA) where: Base-Base interactions energy: -1512.077 where: short stacking energy: -617.364 Base-Backbone interact. energy: -0.281 local terms energy: -704.354893 where: bonds (distance) C4'-P energy: -117.088 bonds (distance) P-C4' energy: -132.155 flat angles C4'-P-C4' energy: -151.759 flat angles P-C4'-P energy: -104.618 tors. eta vs tors. theta energy: -198.735 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 306 Temperature: 1.000000 Total energy: -2124.920579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2124.920579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2124.920579 (E_RNA) where: Base-Base interactions energy: -1466.029 where: short stacking energy: -601.352 Base-Backbone interact. energy: -0.753 local terms energy: -658.508663 where: bonds (distance) C4'-P energy: -118.593 bonds (distance) P-C4' energy: -128.971 flat angles C4'-P-C4' energy: -134.827 flat angles P-C4'-P energy: -84.547 tors. eta vs tors. theta energy: -191.571 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.370 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 306 Temperature: 1.050000 Total energy: -1944.029576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1944.029576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1944.029576 (E_RNA) where: Base-Base interactions energy: -1291.822 where: short stacking energy: -581.139 Base-Backbone interact. energy: -1.544 local terms energy: -650.662977 where: bonds (distance) C4'-P energy: -111.700 bonds (distance) P-C4' energy: -119.348 flat angles C4'-P-C4' energy: -152.644 flat angles P-C4'-P energy: -87.581 tors. eta vs tors. theta energy: -179.390 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 306 Temperature: 1.100000 Total energy: -1868.495141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1868.495141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1868.495141 (E_RNA) where: Base-Base interactions energy: -1253.715 where: short stacking energy: -535.430 Base-Backbone interact. energy: -2.042 local terms energy: -614.231011 where: bonds (distance) C4'-P energy: -108.463 bonds (distance) P-C4' energy: -112.428 flat angles C4'-P-C4' energy: -144.228 flat angles P-C4'-P energy: -92.066 tors. eta vs tors. theta energy: -157.046 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 1.493 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 306 Temperature: 1.150000 Total energy: -1588.704157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1588.704157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1588.704157 (E_RNA) where: Base-Base interactions energy: -1013.090 where: short stacking energy: -442.466 Base-Backbone interact. energy: 0.439 local terms energy: -576.053683 where: bonds (distance) C4'-P energy: -116.502 bonds (distance) P-C4' energy: -119.367 flat angles C4'-P-C4' energy: -129.863 flat angles P-C4'-P energy: -79.959 tors. eta vs tors. theta energy: -130.363 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 306 Temperature: 1.200000 Total energy: -1288.415926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1288.415926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1288.415926 (E_RNA) where: Base-Base interactions energy: -806.762 where: short stacking energy: -342.471 Base-Backbone interact. energy: 0.677 local terms energy: -482.331268 where: bonds (distance) C4'-P energy: -127.090 bonds (distance) P-C4' energy: -108.583 flat angles C4'-P-C4' energy: -91.730 flat angles P-C4'-P energy: -72.949 tors. eta vs tors. theta energy: -81.979 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: 3 ===================================== Write number: 306 Temperature: 1.250000 Total energy: -799.774673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -799.774673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -799.774673 (E_RNA) where: Base-Base interactions energy: -407.008 where: short stacking energy: -222.970 Base-Backbone interact. energy: -1.515 local terms energy: -391.251189 where: bonds (distance) C4'-P energy: -128.106 bonds (distance) P-C4' energy: -117.388 flat angles C4'-P-C4' energy: -77.018 flat angles P-C4'-P energy: -50.226 tors. eta vs tors. theta energy: -18.513 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: 306 Temperature: 1.300000 Total energy: -726.182102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -726.182102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -726.182102 (E_RNA) where: Base-Base interactions energy: -332.755 where: short stacking energy: -200.494 Base-Backbone interact. energy: 0.708 local terms energy: -394.135508 where: bonds (distance) C4'-P energy: -133.940 bonds (distance) P-C4' energy: -103.873 flat angles C4'-P-C4' energy: -100.931 flat angles P-C4'-P energy: -67.853 tors. eta vs tors. theta energy: 12.461 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 306 Temperature: 1.350000 Total energy: -479.861418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -479.861418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -479.861418 (E_RNA) where: Base-Base interactions energy: -117.639 where: short stacking energy: -107.852 Base-Backbone interact. energy: -3.901 local terms energy: -358.322238 where: bonds (distance) C4'-P energy: -101.372 bonds (distance) P-C4' energy: -138.092 flat angles C4'-P-C4' energy: -104.910 flat angles P-C4'-P energy: -49.595 tors. eta vs tors. theta energy: 35.647 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 307 Temperature: 0.900000 Total energy: -2264.810096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2264.810096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2264.810096 (E_RNA) where: Base-Base interactions energy: -1547.667 where: short stacking energy: -620.476 Base-Backbone interact. energy: -7.503 local terms energy: -709.640557 where: bonds (distance) C4'-P energy: -125.050 bonds (distance) P-C4' energy: -136.741 flat angles C4'-P-C4' energy: -155.881 flat angles P-C4'-P energy: -97.861 tors. eta vs tors. theta energy: -194.107 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 307 Temperature: 0.950000 Total energy: -2237.358256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2237.358256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2237.358256 (E_RNA) where: Base-Base interactions energy: -1507.085 where: short stacking energy: -638.949 Base-Backbone interact. energy: -0.037 local terms energy: -730.236312 where: bonds (distance) C4'-P energy: -121.251 bonds (distance) P-C4' energy: -128.205 flat angles C4'-P-C4' energy: -163.641 flat angles P-C4'-P energy: -111.794 tors. eta vs tors. theta energy: -205.345 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: 5 ===================================== Write number: 307 Temperature: 1.000000 Total energy: -2153.598971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2153.598971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2153.598971 (E_RNA) where: Base-Base interactions energy: -1449.006 where: short stacking energy: -582.979 Base-Backbone interact. energy: -2.805 local terms energy: -701.787974 where: bonds (distance) C4'-P energy: -127.409 bonds (distance) P-C4' energy: -137.646 flat angles C4'-P-C4' energy: -151.894 flat angles P-C4'-P energy: -97.024 tors. eta vs tors. theta energy: -187.815 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: 307 Temperature: 1.050000 Total energy: -1876.197054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1876.197054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1876.197054 (E_RNA) where: Base-Base interactions energy: -1235.400 where: short stacking energy: -540.811 Base-Backbone interact. energy: -0.529 local terms energy: -640.267792 where: bonds (distance) C4'-P energy: -128.963 bonds (distance) P-C4' energy: -125.134 flat angles C4'-P-C4' energy: -144.106 flat angles P-C4'-P energy: -80.623 tors. eta vs tors. theta energy: -161.442 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 307 Temperature: 1.100000 Total energy: -1877.849810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1877.849810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1877.849810 (E_RNA) where: Base-Base interactions energy: -1250.177 where: short stacking energy: -525.843 Base-Backbone interact. energy: -2.202 local terms energy: -625.470343 where: bonds (distance) C4'-P energy: -121.126 bonds (distance) P-C4' energy: -131.689 flat angles C4'-P-C4' energy: -125.814 flat angles P-C4'-P energy: -88.914 tors. eta vs tors. theta energy: -157.928 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 307 Temperature: 1.150000 Total energy: -1581.501772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1581.501772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1581.501772 (E_RNA) where: Base-Base interactions energy: -1039.293 where: short stacking energy: -454.068 Base-Backbone interact. energy: -3.065 local terms energy: -539.144037 where: bonds (distance) C4'-P energy: -108.076 bonds (distance) P-C4' energy: -102.434 flat angles C4'-P-C4' energy: -139.782 flat angles P-C4'-P energy: -77.585 tors. eta vs tors. theta energy: -111.268 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: 1 ===================================== Write number: 307 Temperature: 1.200000 Total energy: -1294.810588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1294.810588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1294.810588 (E_RNA) where: Base-Base interactions energy: -790.704 where: short stacking energy: -355.562 Base-Backbone interact. energy: -1.782 local terms energy: -502.324439 where: bonds (distance) C4'-P energy: -113.152 bonds (distance) P-C4' energy: -109.214 flat angles C4'-P-C4' energy: -122.406 flat angles P-C4'-P energy: -83.356 tors. eta vs tors. theta energy: -74.196 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 307 Temperature: 1.250000 Total energy: -862.112498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -862.112498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -862.112498 (E_RNA) where: Base-Base interactions energy: -454.959 where: short stacking energy: -256.693 Base-Backbone interact. energy: -3.763 local terms energy: -403.390899 where: bonds (distance) C4'-P energy: -103.258 bonds (distance) P-C4' energy: -106.072 flat angles C4'-P-C4' energy: -95.935 flat angles P-C4'-P energy: -76.041 tors. eta vs tors. theta energy: -22.084 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 307 Temperature: 1.300000 Total energy: -706.092013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -706.092013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -706.092013 (E_RNA) where: Base-Base interactions energy: -317.884 where: short stacking energy: -157.235 Base-Backbone interact. energy: 2.866 local terms energy: -391.074203 where: bonds (distance) C4'-P energy: -108.406 bonds (distance) P-C4' energy: -134.278 flat angles C4'-P-C4' energy: -87.868 flat angles P-C4'-P energy: -52.400 tors. eta vs tors. theta energy: -8.121 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: 10, replica: 4 ===================================== Write number: 307 Temperature: 1.350000 Total energy: -491.540537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -491.540537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -491.540537 (E_RNA) where: Base-Base interactions energy: -176.400 where: short stacking energy: -122.689 Base-Backbone interact. energy: 2.163 local terms energy: -317.303718 where: bonds (distance) C4'-P energy: -110.093 bonds (distance) P-C4' energy: -125.713 flat angles C4'-P-C4' energy: -83.247 flat angles P-C4'-P energy: -31.138 tors. eta vs tors. theta energy: 32.888 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 308 Temperature: 0.900000 Total energy: -2274.141365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2274.141365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2274.141365 (E_RNA) where: Base-Base interactions energy: -1554.751 where: short stacking energy: -630.897 Base-Backbone interact. energy: -4.851 local terms energy: -714.539369 where: bonds (distance) C4'-P energy: -122.758 bonds (distance) P-C4' energy: -141.926 flat angles C4'-P-C4' energy: -150.390 flat angles P-C4'-P energy: -97.002 tors. eta vs tors. theta energy: -202.463 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 308 Temperature: 0.950000 Total energy: -2221.361936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2221.361936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2221.361936 (E_RNA) where: Base-Base interactions energy: -1505.111 where: short stacking energy: -608.970 Base-Backbone interact. energy: -1.231 local terms energy: -715.020086 where: bonds (distance) C4'-P energy: -128.945 bonds (distance) P-C4' energy: -131.053 flat angles C4'-P-C4' energy: -157.199 flat angles P-C4'-P energy: -98.068 tors. eta vs tors. theta energy: -199.755 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: 5 ===================================== Write number: 308 Temperature: 1.000000 Total energy: -2121.903164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2121.903164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2121.903164 (E_RNA) where: Base-Base interactions energy: -1424.833 where: short stacking energy: -590.389 Base-Backbone interact. energy: -4.297 local terms energy: -692.773372 where: bonds (distance) C4'-P energy: -140.069 bonds (distance) P-C4' energy: -128.836 flat angles C4'-P-C4' energy: -140.417 flat angles P-C4'-P energy: -92.873 tors. eta vs tors. theta energy: -190.579 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 308 Temperature: 1.050000 Total energy: -1940.884721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1940.884721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1940.884721 (E_RNA) where: Base-Base interactions energy: -1306.630 where: short stacking energy: -541.917 Base-Backbone interact. energy: -1.348 local terms energy: -633.675567 where: bonds (distance) C4'-P energy: -112.255 bonds (distance) P-C4' energy: -129.762 flat angles C4'-P-C4' energy: -132.852 flat angles P-C4'-P energy: -87.902 tors. eta vs tors. theta energy: -170.904 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.769 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 308 Temperature: 1.100000 Total energy: -1836.254597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1836.254597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1836.254597 (E_RNA) where: Base-Base interactions energy: -1228.891 where: short stacking energy: -543.980 Base-Backbone interact. energy: 2.097 local terms energy: -609.460594 where: bonds (distance) C4'-P energy: -105.599 bonds (distance) P-C4' energy: -132.680 flat angles C4'-P-C4' energy: -123.087 flat angles P-C4'-P energy: -88.528 tors. eta vs tors. theta energy: -159.567 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 308 Temperature: 1.150000 Total energy: -1540.417884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1540.417884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1540.417884 (E_RNA) where: Base-Base interactions energy: -1015.392 where: short stacking energy: -454.589 Base-Backbone interact. energy: 0.224 local terms energy: -525.250647 where: bonds (distance) C4'-P energy: -120.750 bonds (distance) P-C4' energy: -98.673 flat angles C4'-P-C4' energy: -120.816 flat angles P-C4'-P energy: -69.853 tors. eta vs tors. theta energy: -115.159 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: 1 ===================================== Write number: 308 Temperature: 1.200000 Total energy: -1246.339827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1246.339827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1246.339827 (E_RNA) where: Base-Base interactions energy: -788.923 where: short stacking energy: -339.518 Base-Backbone interact. energy: -1.242 local terms energy: -456.174958 where: bonds (distance) C4'-P energy: -106.612 bonds (distance) P-C4' energy: -124.596 flat angles C4'-P-C4' energy: -108.336 flat angles P-C4'-P energy: -53.208 tors. eta vs tors. theta energy: -63.423 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 308 Temperature: 1.250000 Total energy: -828.051289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -828.051289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -828.051289 (E_RNA) where: Base-Base interactions energy: -392.528 where: short stacking energy: -214.626 Base-Backbone interact. energy: -0.206 local terms energy: -435.316913 where: bonds (distance) C4'-P energy: -128.189 bonds (distance) P-C4' energy: -125.994 flat angles C4'-P-C4' energy: -91.555 flat angles P-C4'-P energy: -60.099 tors. eta vs tors. theta energy: -29.479 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 308 Temperature: 1.300000 Total energy: -709.080823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -709.080823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -709.080823 (E_RNA) where: Base-Base interactions energy: -306.372 where: short stacking energy: -213.066 Base-Backbone interact. energy: 1.070 local terms energy: -403.779087 where: bonds (distance) C4'-P energy: -105.239 bonds (distance) P-C4' energy: -112.319 flat angles C4'-P-C4' energy: -96.893 flat angles P-C4'-P energy: -72.454 tors. eta vs tors. theta energy: -16.875 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 308 Temperature: 1.350000 Total energy: -532.692500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -532.692500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -532.692500 (E_RNA) where: Base-Base interactions energy: -220.256 where: short stacking energy: -132.773 Base-Backbone interact. energy: -3.540 local terms energy: -308.896675 where: bonds (distance) C4'-P energy: -98.510 bonds (distance) P-C4' energy: -102.992 flat angles C4'-P-C4' energy: -72.294 flat angles P-C4'-P energy: -75.513 tors. eta vs tors. theta energy: 40.413 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 309 Temperature: 0.900000 Total energy: -2265.180591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2265.180591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2265.180591 (E_RNA) where: Base-Base interactions energy: -1540.711 where: short stacking energy: -661.072 Base-Backbone interact. energy: 0.409 local terms energy: -724.878622 where: bonds (distance) C4'-P energy: -125.265 bonds (distance) P-C4' energy: -129.914 flat angles C4'-P-C4' energy: -151.124 flat angles P-C4'-P energy: -103.594 tors. eta vs tors. theta energy: -214.982 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 309 Temperature: 0.950000 Total energy: -2216.455558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2216.455558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2216.455558 (E_RNA) where: Base-Base interactions energy: -1519.241 where: short stacking energy: -614.244 Base-Backbone interact. energy: -0.674 local terms energy: -696.539681 where: bonds (distance) C4'-P energy: -132.831 bonds (distance) P-C4' energy: -130.349 flat angles C4'-P-C4' energy: -144.573 flat angles P-C4'-P energy: -90.018 tors. eta vs tors. theta energy: -198.769 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 309 Temperature: 1.000000 Total energy: -2100.423240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2100.423240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2100.423240 (E_RNA) where: Base-Base interactions energy: -1444.515 where: short stacking energy: -589.709 Base-Backbone interact. energy: -2.121 local terms energy: -653.786493 where: bonds (distance) C4'-P energy: -119.499 bonds (distance) P-C4' energy: -114.339 flat angles C4'-P-C4' energy: -146.244 flat angles P-C4'-P energy: -90.137 tors. eta vs tors. theta energy: -183.568 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: 8 ===================================== Write number: 309 Temperature: 1.050000 Total energy: -1919.830410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1919.830410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1919.830410 (E_RNA) where: Base-Base interactions energy: -1275.690 where: short stacking energy: -504.618 Base-Backbone interact. energy: 1.793 local terms energy: -645.933059 where: bonds (distance) C4'-P energy: -113.214 bonds (distance) P-C4' energy: -143.546 flat angles C4'-P-C4' energy: -135.877 flat angles P-C4'-P energy: -95.317 tors. eta vs tors. theta energy: -157.979 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 309 Temperature: 1.100000 Total energy: -1898.604312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1898.604312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1898.604312 (E_RNA) where: Base-Base interactions energy: -1256.927 where: short stacking energy: -544.145 Base-Backbone interact. energy: 0.278 local terms energy: -641.955940 where: bonds (distance) C4'-P energy: -120.895 bonds (distance) P-C4' energy: -132.538 flat angles C4'-P-C4' energy: -130.749 flat angles P-C4'-P energy: -85.338 tors. eta vs tors. theta energy: -172.437 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: 6 ===================================== Write number: 309 Temperature: 1.150000 Total energy: -1645.275708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1645.275708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1645.275708 (E_RNA) where: Base-Base interactions energy: -1096.210 where: short stacking energy: -443.643 Base-Backbone interact. energy: 1.638 local terms energy: -550.703665 where: bonds (distance) C4'-P energy: -103.441 bonds (distance) P-C4' energy: -99.035 flat angles C4'-P-C4' energy: -126.978 flat angles P-C4'-P energy: -95.227 tors. eta vs tors. theta energy: -126.023 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: 1 ===================================== Write number: 309 Temperature: 1.200000 Total energy: -1251.360472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1251.360472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1251.360472 (E_RNA) where: Base-Base interactions energy: -765.809 where: short stacking energy: -352.031 Base-Backbone interact. energy: 1.571 local terms energy: -487.121936 where: bonds (distance) C4'-P energy: -118.804 bonds (distance) P-C4' energy: -116.311 flat angles C4'-P-C4' energy: -107.243 flat angles P-C4'-P energy: -59.934 tors. eta vs tors. theta energy: -84.830 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 309 Temperature: 1.250000 Total energy: -887.049797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -887.049797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -887.049797 (E_RNA) where: Base-Base interactions energy: -497.739 where: short stacking energy: -242.939 Base-Backbone interact. energy: -3.841 local terms energy: -385.469532 where: bonds (distance) C4'-P energy: -86.126 bonds (distance) P-C4' energy: -128.489 flat angles C4'-P-C4' energy: -94.138 flat angles P-C4'-P energy: -60.646 tors. eta vs tors. theta energy: -16.071 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 309 Temperature: 1.300000 Total energy: -683.069151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -683.069151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -683.069151 (E_RNA) where: Base-Base interactions energy: -323.847 where: short stacking energy: -199.911 Base-Backbone interact. energy: 0.332 local terms energy: -359.554462 where: bonds (distance) C4'-P energy: -93.884 bonds (distance) P-C4' energy: -130.189 flat angles C4'-P-C4' energy: -83.378 flat angles P-C4'-P energy: -60.748 tors. eta vs tors. theta energy: 8.646 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: 4 ===================================== Write number: 309 Temperature: 1.350000 Total energy: -495.394019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -495.394019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -495.394019 (E_RNA) where: Base-Base interactions energy: -171.718 where: short stacking energy: -110.907 Base-Backbone interact. energy: 0.672 local terms energy: -324.348005 where: bonds (distance) C4'-P energy: -111.416 bonds (distance) P-C4' energy: -107.792 flat angles C4'-P-C4' energy: -108.530 flat angles P-C4'-P energy: -43.890 tors. eta vs tors. theta energy: 47.281 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 310 Temperature: 0.900000 Total energy: -2262.247033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2262.247033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2262.247033 (E_RNA) where: Base-Base interactions energy: -1540.452 where: short stacking energy: -610.382 Base-Backbone interact. energy: -2.966 local terms energy: -718.828631 where: bonds (distance) C4'-P energy: -138.503 bonds (distance) P-C4' energy: -139.621 flat angles C4'-P-C4' energy: -143.277 flat angles P-C4'-P energy: -89.110 tors. eta vs tors. theta energy: -208.318 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: 2 ===================================== Write number: 310 Temperature: 0.950000 Total energy: -2221.316433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2221.316433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2221.316433 (E_RNA) where: Base-Base interactions energy: -1504.718 where: short stacking energy: -614.721 Base-Backbone interact. energy: -2.894 local terms energy: -713.703983 where: bonds (distance) C4'-P energy: -127.853 bonds (distance) P-C4' energy: -139.561 flat angles C4'-P-C4' energy: -154.517 flat angles P-C4'-P energy: -92.005 tors. eta vs tors. theta energy: -199.768 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 310 Temperature: 1.000000 Total energy: -2077.234939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2077.234939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2077.234939 (E_RNA) where: Base-Base interactions energy: -1410.852 where: short stacking energy: -574.602 Base-Backbone interact. energy: -2.166 local terms energy: -664.216773 where: bonds (distance) C4'-P energy: -128.283 bonds (distance) P-C4' energy: -124.196 flat angles C4'-P-C4' energy: -148.959 flat angles P-C4'-P energy: -97.571 tors. eta vs tors. theta energy: -165.207 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 310 Temperature: 1.050000 Total energy: -1953.231569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1953.231569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1953.231569 (E_RNA) where: Base-Base interactions energy: -1343.133 where: short stacking energy: -554.087 Base-Backbone interact. energy: -0.933 local terms energy: -609.165083 where: bonds (distance) C4'-P energy: -103.242 bonds (distance) P-C4' energy: -127.105 flat angles C4'-P-C4' energy: -121.195 flat angles P-C4'-P energy: -92.183 tors. eta vs tors. theta energy: -165.440 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: 10 ===================================== Write number: 310 Temperature: 1.100000 Total energy: -1869.415885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1869.415885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1869.415885 (E_RNA) where: Base-Base interactions energy: -1289.044 where: short stacking energy: -544.808 Base-Backbone interact. energy: 1.187 local terms energy: -581.559031 where: bonds (distance) C4'-P energy: -108.950 bonds (distance) P-C4' energy: -115.614 flat angles C4'-P-C4' energy: -118.280 flat angles P-C4'-P energy: -81.957 tors. eta vs tors. theta energy: -156.758 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: 6, replica: 6 ===================================== Write number: 310 Temperature: 1.150000 Total energy: -1654.577920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1654.577920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1654.577920 (E_RNA) where: Base-Base interactions energy: -1073.871 where: short stacking energy: -454.141 Base-Backbone interact. energy: -2.282 local terms energy: -578.424546 where: bonds (distance) C4'-P energy: -106.844 bonds (distance) P-C4' energy: -124.525 flat angles C4'-P-C4' energy: -137.266 flat angles P-C4'-P energy: -87.286 tors. eta vs tors. theta energy: -122.504 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 310 Temperature: 1.200000 Total energy: -1209.294411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1209.294411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1209.294411 (E_RNA) where: Base-Base interactions energy: -748.914 where: short stacking energy: -327.065 Base-Backbone interact. energy: -4.258 local terms energy: -456.122087 where: bonds (distance) C4'-P energy: -99.836 bonds (distance) P-C4' energy: -109.643 flat angles C4'-P-C4' energy: -120.659 flat angles P-C4'-P energy: -59.610 tors. eta vs tors. theta energy: -66.374 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: 3 ===================================== Write number: 310 Temperature: 1.250000 Total energy: -820.255428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -820.255428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -820.255428 (E_RNA) where: Base-Base interactions energy: -428.686 where: short stacking energy: -218.799 Base-Backbone interact. energy: -0.150 local terms energy: -391.419829 where: bonds (distance) C4'-P energy: -95.549 bonds (distance) P-C4' energy: -108.514 flat angles C4'-P-C4' energy: -97.556 flat angles P-C4'-P energy: -69.349 tors. eta vs tors. theta energy: -20.451 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: 9 ===================================== Write number: 310 Temperature: 1.300000 Total energy: -655.278615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -655.278615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -655.278615 (E_RNA) where: Base-Base interactions energy: -303.149 where: short stacking energy: -155.746 Base-Backbone interact. energy: 3.636 local terms energy: -355.765629 where: bonds (distance) C4'-P energy: -94.764 bonds (distance) P-C4' energy: -111.743 flat angles C4'-P-C4' energy: -89.943 flat angles P-C4'-P energy: -73.115 tors. eta vs tors. theta energy: 13.800 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 310 Temperature: 1.350000 Total energy: -500.047563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -500.047563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -500.047563 (E_RNA) where: Base-Base interactions energy: -168.577 where: short stacking energy: -118.485 Base-Backbone interact. energy: -5.066 local terms energy: -326.404331 where: bonds (distance) C4'-P energy: -106.334 bonds (distance) P-C4' energy: -105.592 flat angles C4'-P-C4' energy: -92.011 flat angles P-C4'-P energy: -65.351 tors. eta vs tors. theta energy: 42.884 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 311 Temperature: 0.900000 Total energy: -2260.149106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2260.149106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2260.149106 (E_RNA) where: Base-Base interactions energy: -1532.146 where: short stacking energy: -652.339 Base-Backbone interact. energy: -2.545 local terms energy: -725.458384 where: bonds (distance) C4'-P energy: -133.273 bonds (distance) P-C4' energy: -132.598 flat angles C4'-P-C4' energy: -148.472 flat angles P-C4'-P energy: -102.140 tors. eta vs tors. theta energy: -208.976 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 311 Temperature: 0.950000 Total energy: -2246.818853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2246.818853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2246.818853 (E_RNA) where: Base-Base interactions energy: -1543.394 where: short stacking energy: -615.211 Base-Backbone interact. energy: 1.367 local terms energy: -704.792155 where: bonds (distance) C4'-P energy: -124.679 bonds (distance) P-C4' energy: -134.463 flat angles C4'-P-C4' energy: -140.308 flat angles P-C4'-P energy: -100.616 tors. eta vs tors. theta energy: -204.726 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: 5 ===================================== Write number: 311 Temperature: 1.000000 Total energy: -2091.003869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2091.003869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2091.003869 (E_RNA) where: Base-Base interactions energy: -1444.903 where: short stacking energy: -594.140 Base-Backbone interact. energy: -2.146 local terms energy: -643.955100 where: bonds (distance) C4'-P energy: -108.856 bonds (distance) P-C4' energy: -120.687 flat angles C4'-P-C4' energy: -135.113 flat angles P-C4'-P energy: -95.654 tors. eta vs tors. theta energy: -183.645 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 311 Temperature: 1.050000 Total energy: -1940.106641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1940.106641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1940.106641 (E_RNA) where: Base-Base interactions energy: -1302.620 where: short stacking energy: -538.301 Base-Backbone interact. energy: 2.880 local terms energy: -640.366146 where: bonds (distance) C4'-P energy: -121.033 bonds (distance) P-C4' energy: -116.030 flat angles C4'-P-C4' energy: -143.637 flat angles P-C4'-P energy: -89.300 tors. eta vs tors. theta energy: -170.366 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 311 Temperature: 1.100000 Total energy: -1898.834456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1898.834456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1898.834456 (E_RNA) where: Base-Base interactions energy: -1259.326 where: short stacking energy: -555.491 Base-Backbone interact. energy: -2.202 local terms energy: -637.306319 where: bonds (distance) C4'-P energy: -107.984 bonds (distance) P-C4' energy: -143.676 flat angles C4'-P-C4' energy: -126.288 flat angles P-C4'-P energy: -90.158 tors. eta vs tors. theta energy: -169.200 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: 6 ===================================== Write number: 311 Temperature: 1.150000 Total energy: -1683.903018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1683.903018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1683.903018 (E_RNA) where: Base-Base interactions energy: -1137.379 where: short stacking energy: -477.151 Base-Backbone interact. energy: 0.210 local terms energy: -546.733638 where: bonds (distance) C4'-P energy: -103.699 bonds (distance) P-C4' energy: -113.167 flat angles C4'-P-C4' energy: -108.353 flat angles P-C4'-P energy: -74.458 tors. eta vs tors. theta energy: -147.056 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 311 Temperature: 1.200000 Total energy: -1342.062265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1342.062265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1342.062265 (E_RNA) where: Base-Base interactions energy: -860.004 where: short stacking energy: -362.711 Base-Backbone interact. energy: -2.557 local terms energy: -479.500703 where: bonds (distance) C4'-P energy: -101.985 bonds (distance) P-C4' energy: -116.131 flat angles C4'-P-C4' energy: -109.665 flat angles P-C4'-P energy: -65.098 tors. eta vs tors. theta energy: -86.622 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: 3 ===================================== Write number: 311 Temperature: 1.250000 Total energy: -815.072711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -815.072711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -815.072711 (E_RNA) where: Base-Base interactions energy: -409.513 where: short stacking energy: -238.899 Base-Backbone interact. energy: -2.669 local terms energy: -402.891014 where: bonds (distance) C4'-P energy: -102.960 bonds (distance) P-C4' energy: -113.012 flat angles C4'-P-C4' energy: -99.642 flat angles P-C4'-P energy: -60.770 tors. eta vs tors. theta energy: -26.507 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 311 Temperature: 1.300000 Total energy: -631.576487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -631.576487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -631.576487 (E_RNA) where: Base-Base interactions energy: -274.750 where: short stacking energy: -189.892 Base-Backbone interact. energy: 2.343 local terms energy: -359.169652 where: bonds (distance) C4'-P energy: -98.242 bonds (distance) P-C4' energy: -129.467 flat angles C4'-P-C4' energy: -107.120 flat angles P-C4'-P energy: -45.388 tors. eta vs tors. theta energy: 21.047 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 311 Temperature: 1.350000 Total energy: -501.259338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -501.259338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -501.259338 (E_RNA) where: Base-Base interactions energy: -184.386 where: short stacking energy: -116.651 Base-Backbone interact. energy: 0.301 local terms energy: -317.174583 where: bonds (distance) C4'-P energy: -91.705 bonds (distance) P-C4' energy: -100.304 flat angles C4'-P-C4' energy: -91.777 flat angles P-C4'-P energy: -63.708 tors. eta vs tors. theta energy: 30.320 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 312 Temperature: 0.900000 Total energy: -2235.209895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2235.209895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2235.209895 (E_RNA) where: Base-Base interactions energy: -1519.526 where: short stacking energy: -631.217 Base-Backbone interact. energy: -1.348 local terms energy: -714.336514 where: bonds (distance) C4'-P energy: -137.436 bonds (distance) P-C4' energy: -117.669 flat angles C4'-P-C4' energy: -147.309 flat angles P-C4'-P energy: -100.487 tors. eta vs tors. theta energy: -211.436 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 312 Temperature: 0.950000 Total energy: -2186.269414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2186.269414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2186.269414 (E_RNA) where: Base-Base interactions energy: -1484.084 where: short stacking energy: -628.176 Base-Backbone interact. energy: -4.153 local terms energy: -698.032142 where: bonds (distance) C4'-P energy: -128.540 bonds (distance) P-C4' energy: -139.146 flat angles C4'-P-C4' energy: -147.394 flat angles P-C4'-P energy: -97.542 tors. eta vs tors. theta energy: -185.410 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: 5 ===================================== Write number: 312 Temperature: 1.000000 Total energy: -2106.814619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2106.814619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2106.814619 (E_RNA) where: Base-Base interactions energy: -1418.714 where: short stacking energy: -579.300 Base-Backbone interact. energy: -4.596 local terms energy: -683.504141 where: bonds (distance) C4'-P energy: -128.759 bonds (distance) P-C4' energy: -125.172 flat angles C4'-P-C4' energy: -149.663 flat angles P-C4'-P energy: -100.361 tors. eta vs tors. theta energy: -179.549 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 312 Temperature: 1.050000 Total energy: -1959.989993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1959.989993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1959.989993 (E_RNA) where: Base-Base interactions energy: -1338.935 where: short stacking energy: -554.796 Base-Backbone interact. energy: -2.593 local terms energy: -618.793737 where: bonds (distance) C4'-P energy: -117.462 bonds (distance) P-C4' energy: -107.955 flat angles C4'-P-C4' energy: -132.060 flat angles P-C4'-P energy: -91.164 tors. eta vs tors. theta energy: -170.153 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.333 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 312 Temperature: 1.100000 Total energy: -1891.010157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1891.010157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1891.010157 (E_RNA) where: Base-Base interactions energy: -1280.881 where: short stacking energy: -544.137 Base-Backbone interact. energy: -1.692 local terms energy: -608.437493 where: bonds (distance) C4'-P energy: -88.252 bonds (distance) P-C4' energy: -114.484 flat angles C4'-P-C4' energy: -142.149 flat angles P-C4'-P energy: -92.131 tors. eta vs tors. theta energy: -171.422 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: 6 ===================================== Write number: 312 Temperature: 1.150000 Total energy: -1771.720165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1771.720165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1771.720165 (E_RNA) where: Base-Base interactions energy: -1199.059 where: short stacking energy: -493.532 Base-Backbone interact. energy: 0.819 local terms energy: -573.479671 where: bonds (distance) C4'-P energy: -110.271 bonds (distance) P-C4' energy: -109.290 flat angles C4'-P-C4' energy: -135.676 flat angles P-C4'-P energy: -85.074 tors. eta vs tors. theta energy: -133.170 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 312 Temperature: 1.200000 Total energy: -1250.976370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1250.976370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1250.976370 (E_RNA) where: Base-Base interactions energy: -792.068 where: short stacking energy: -315.325 Base-Backbone interact. energy: -2.628 local terms energy: -456.280124 where: bonds (distance) C4'-P energy: -111.268 bonds (distance) P-C4' energy: -112.431 flat angles C4'-P-C4' energy: -102.951 flat angles P-C4'-P energy: -78.234 tors. eta vs tors. theta energy: -51.395 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 312 Temperature: 1.250000 Total energy: -917.291108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -917.291108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -917.291108 (E_RNA) where: Base-Base interactions energy: -475.936 where: short stacking energy: -239.608 Base-Backbone interact. energy: 1.841 local terms energy: -443.196206 where: bonds (distance) C4'-P energy: -112.715 bonds (distance) P-C4' energy: -126.496 flat angles C4'-P-C4' energy: -111.638 flat angles P-C4'-P energy: -63.531 tors. eta vs tors. theta energy: -28.816 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 312 Temperature: 1.300000 Total energy: -677.043507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -677.043507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -677.043507 (E_RNA) where: Base-Base interactions energy: -296.091 where: short stacking energy: -182.031 Base-Backbone interact. energy: 7.597 local terms energy: -388.549025 where: bonds (distance) C4'-P energy: -124.830 bonds (distance) P-C4' energy: -113.730 flat angles C4'-P-C4' energy: -103.880 flat angles P-C4'-P energy: -52.438 tors. eta vs tors. theta energy: 6.330 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 312 Temperature: 1.350000 Total energy: -475.943109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -475.943109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -475.943109 (E_RNA) where: Base-Base interactions energy: -170.324 where: short stacking energy: -118.178 Base-Backbone interact. energy: 2.280 local terms energy: -307.899169 where: bonds (distance) C4'-P energy: -102.422 bonds (distance) P-C4' energy: -115.943 flat angles C4'-P-C4' energy: -71.610 flat angles P-C4'-P energy: -38.852 tors. eta vs tors. theta energy: 20.927 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 313 Temperature: 0.900000 Total energy: -2242.947867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2242.947867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2242.947867 (E_RNA) where: Base-Base interactions energy: -1538.919 where: short stacking energy: -635.871 Base-Backbone interact. energy: -2.980 local terms energy: -701.049284 where: bonds (distance) C4'-P energy: -130.549 bonds (distance) P-C4' energy: -130.799 flat angles C4'-P-C4' energy: -145.571 flat angles P-C4'-P energy: -92.774 tors. eta vs tors. theta energy: -201.356 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 313 Temperature: 0.950000 Total energy: -2179.036961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2179.036961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2179.036961 (E_RNA) where: Base-Base interactions energy: -1480.738 where: short stacking energy: -612.365 Base-Backbone interact. energy: -4.782 local terms energy: -693.517083 where: bonds (distance) C4'-P energy: -122.599 bonds (distance) P-C4' energy: -125.095 flat angles C4'-P-C4' energy: -144.433 flat angles P-C4'-P energy: -99.727 tors. eta vs tors. theta energy: -201.664 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 313 Temperature: 1.000000 Total energy: -2145.364895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2145.364895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2145.364895 (E_RNA) where: Base-Base interactions energy: -1484.264 where: short stacking energy: -587.411 Base-Backbone interact. energy: -4.499 local terms energy: -656.601425 where: bonds (distance) C4'-P energy: -119.734 bonds (distance) P-C4' energy: -124.075 flat angles C4'-P-C4' energy: -138.818 flat angles P-C4'-P energy: -92.669 tors. eta vs tors. theta energy: -181.305 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: 4, replica: 8 ===================================== Write number: 313 Temperature: 1.050000 Total energy: -1973.334552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1973.334552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1973.334552 (E_RNA) where: Base-Base interactions energy: -1325.639 where: short stacking energy: -564.679 Base-Backbone interact. energy: -4.330 local terms energy: -644.530307 where: bonds (distance) C4'-P energy: -134.394 bonds (distance) P-C4' energy: -127.246 flat angles C4'-P-C4' energy: -127.717 flat angles P-C4'-P energy: -81.971 tors. eta vs tors. theta energy: -173.202 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 1.165 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 313 Temperature: 1.100000 Total energy: -1833.594350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1833.594350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1833.594350 (E_RNA) where: Base-Base interactions energy: -1210.694 where: short stacking energy: -521.978 Base-Backbone interact. energy: -3.004 local terms energy: -619.896141 where: bonds (distance) C4'-P energy: -123.027 bonds (distance) P-C4' energy: -122.589 flat angles C4'-P-C4' energy: -137.892 flat angles P-C4'-P energy: -83.763 tors. eta vs tors. theta energy: -152.624 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 313 Temperature: 1.150000 Total energy: -1802.864379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1802.864379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1802.864379 (E_RNA) where: Base-Base interactions energy: -1202.224 where: short stacking energy: -492.064 Base-Backbone interact. energy: -1.224 local terms energy: -599.416395 where: bonds (distance) C4'-P energy: -116.158 bonds (distance) P-C4' energy: -114.120 flat angles C4'-P-C4' energy: -124.981 flat angles P-C4'-P energy: -84.168 tors. eta vs tors. theta energy: -159.990 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: 1 ===================================== Write number: 313 Temperature: 1.200000 Total energy: -1190.714708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1190.714708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1190.714708 (E_RNA) where: Base-Base interactions energy: -740.048 where: short stacking energy: -345.521 Base-Backbone interact. energy: -0.628 local terms energy: -450.038629 where: bonds (distance) C4'-P energy: -119.497 bonds (distance) P-C4' energy: -110.695 flat angles C4'-P-C4' energy: -105.872 flat angles P-C4'-P energy: -56.802 tors. eta vs tors. theta energy: -57.174 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 313 Temperature: 1.250000 Total energy: -842.738054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -842.738054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -842.738054 (E_RNA) where: Base-Base interactions energy: -450.513 where: short stacking energy: -204.346 Base-Backbone interact. energy: -4.345 local terms energy: -387.879509 where: bonds (distance) C4'-P energy: -101.740 bonds (distance) P-C4' energy: -125.075 flat angles C4'-P-C4' energy: -81.355 flat angles P-C4'-P energy: -58.435 tors. eta vs tors. theta energy: -21.274 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 313 Temperature: 1.300000 Total energy: -647.676525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -647.676525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -647.676525 (E_RNA) where: Base-Base interactions energy: -272.944 where: short stacking energy: -180.411 Base-Backbone interact. energy: -3.391 local terms energy: -371.341738 where: bonds (distance) C4'-P energy: -105.895 bonds (distance) P-C4' energy: -129.310 flat angles C4'-P-C4' energy: -87.422 flat angles P-C4'-P energy: -60.547 tors. eta vs tors. theta energy: 11.832 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: 4 ===================================== Write number: 313 Temperature: 1.350000 Total energy: -482.548536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -482.548536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -482.548536 (E_RNA) where: Base-Base interactions energy: -152.814 where: short stacking energy: -130.469 Base-Backbone interact. energy: -2.866 local terms energy: -326.868499 where: bonds (distance) C4'-P energy: -111.085 bonds (distance) P-C4' energy: -96.104 flat angles C4'-P-C4' energy: -93.637 flat angles P-C4'-P energy: -56.838 tors. eta vs tors. theta energy: 30.795 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: 1, replica: 7 ===================================== Write number: 314 Temperature: 0.900000 Total energy: -2228.470913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2228.470913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2228.470913 (E_RNA) where: Base-Base interactions energy: -1505.632 where: short stacking energy: -640.133 Base-Backbone interact. energy: -1.189 local terms energy: -721.649691 where: bonds (distance) C4'-P energy: -143.149 bonds (distance) P-C4' energy: -125.077 flat angles C4'-P-C4' energy: -152.069 flat angles P-C4'-P energy: -95.236 tors. eta vs tors. theta energy: -206.118 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: 2 ===================================== Write number: 314 Temperature: 0.950000 Total energy: -2229.791102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2229.791102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2229.791102 (E_RNA) where: Base-Base interactions energy: -1515.827 where: short stacking energy: -640.153 Base-Backbone interact. energy: -1.312 local terms energy: -712.652270 where: bonds (distance) C4'-P energy: -136.768 bonds (distance) P-C4' energy: -124.978 flat angles C4'-P-C4' energy: -146.533 flat angles P-C4'-P energy: -103.420 tors. eta vs tors. theta energy: -200.953 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 314 Temperature: 1.000000 Total energy: -2132.864262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2132.864262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2132.864262 (E_RNA) where: Base-Base interactions energy: -1472.717 where: short stacking energy: -598.674 Base-Backbone interact. energy: -3.293 local terms energy: -656.854205 where: bonds (distance) C4'-P energy: -109.757 bonds (distance) P-C4' energy: -123.165 flat angles C4'-P-C4' energy: -131.448 flat angles P-C4'-P energy: -96.750 tors. eta vs tors. theta energy: -195.735 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: 4, replica: 8 ===================================== Write number: 314 Temperature: 1.050000 Total energy: -2014.587480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2014.587480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2014.587480 (E_RNA) where: Base-Base interactions energy: -1381.977 where: short stacking energy: -551.348 Base-Backbone interact. energy: -0.068 local terms energy: -632.542682 where: bonds (distance) C4'-P energy: -118.419 bonds (distance) P-C4' energy: -119.583 flat angles C4'-P-C4' energy: -128.741 flat angles P-C4'-P energy: -91.044 tors. eta vs tors. theta energy: -174.755 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 314 Temperature: 1.100000 Total energy: -1860.644875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1860.644875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1860.644875 (E_RNA) where: Base-Base interactions energy: -1232.494 where: short stacking energy: -503.399 Base-Backbone interact. energy: -0.284 local terms energy: -627.866605 where: bonds (distance) C4'-P energy: -129.173 bonds (distance) P-C4' energy: -119.339 flat angles C4'-P-C4' energy: -136.873 flat angles P-C4'-P energy: -75.722 tors. eta vs tors. theta energy: -166.759 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: 10 ===================================== Write number: 314 Temperature: 1.150000 Total energy: -1719.681061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1719.681061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1719.681061 (E_RNA) where: Base-Base interactions energy: -1132.665 where: short stacking energy: -494.722 Base-Backbone interact. energy: -0.305 local terms energy: -586.711094 where: bonds (distance) C4'-P energy: -116.376 bonds (distance) P-C4' energy: -117.952 flat angles C4'-P-C4' energy: -123.108 flat angles P-C4'-P energy: -82.329 tors. eta vs tors. theta energy: -146.946 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: 1 ===================================== Write number: 314 Temperature: 1.200000 Total energy: -1258.322258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1258.322258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1258.322258 (E_RNA) where: Base-Base interactions energy: -790.372 where: short stacking energy: -335.395 Base-Backbone interact. energy: 0.219 local terms energy: -468.169596 where: bonds (distance) C4'-P energy: -109.941 bonds (distance) P-C4' energy: -109.331 flat angles C4'-P-C4' energy: -100.438 flat angles P-C4'-P energy: -81.673 tors. eta vs tors. theta energy: -66.787 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: 3 ===================================== Write number: 314 Temperature: 1.250000 Total energy: -875.200888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -875.200888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -875.200888 (E_RNA) where: Base-Base interactions energy: -469.087 where: short stacking energy: -231.560 Base-Backbone interact. energy: -2.263 local terms energy: -403.850596 where: bonds (distance) C4'-P energy: -102.431 bonds (distance) P-C4' energy: -104.066 flat angles C4'-P-C4' energy: -109.813 flat angles P-C4'-P energy: -79.070 tors. eta vs tors. theta energy: -8.471 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: 9 ===================================== Write number: 314 Temperature: 1.300000 Total energy: -632.791574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -632.791574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -632.791574 (E_RNA) where: Base-Base interactions energy: -248.815 where: short stacking energy: -150.830 Base-Backbone interact. energy: -0.612 local terms energy: -383.364207 where: bonds (distance) C4'-P energy: -105.107 bonds (distance) P-C4' energy: -103.028 flat angles C4'-P-C4' energy: -120.322 flat angles P-C4'-P energy: -77.702 tors. eta vs tors. theta energy: 22.794 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 314 Temperature: 1.350000 Total energy: -549.042806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -549.042806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -549.042806 (E_RNA) where: Base-Base interactions energy: -219.656 where: short stacking energy: -138.423 Base-Backbone interact. energy: 2.230 local terms energy: -331.617103 where: bonds (distance) C4'-P energy: -108.011 bonds (distance) P-C4' energy: -108.026 flat angles C4'-P-C4' energy: -98.075 flat angles P-C4'-P energy: -58.691 tors. eta vs tors. theta energy: 41.184 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 315 Temperature: 0.900000 Total energy: -2301.670000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2301.670000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2301.670000 (E_RNA) where: Base-Base interactions energy: -1555.661 where: short stacking energy: -663.338 Base-Backbone interact. energy: -1.634 local terms energy: -744.374894 where: bonds (distance) C4'-P energy: -132.046 bonds (distance) P-C4' energy: -137.162 flat angles C4'-P-C4' energy: -157.308 flat angles P-C4'-P energy: -103.624 tors. eta vs tors. theta energy: -214.236 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 315 Temperature: 0.950000 Total energy: -2198.641979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2198.641979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2198.641979 (E_RNA) where: Base-Base interactions energy: -1503.160 where: short stacking energy: -633.461 Base-Backbone interact. energy: -3.038 local terms energy: -692.443844 where: bonds (distance) C4'-P energy: -124.748 bonds (distance) P-C4' energy: -126.747 flat angles C4'-P-C4' energy: -145.777 flat angles P-C4'-P energy: -99.033 tors. eta vs tors. theta energy: -196.139 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 315 Temperature: 1.000000 Total energy: -2138.727837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2138.727837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2138.727837 (E_RNA) where: Base-Base interactions energy: -1475.174 where: short stacking energy: -604.772 Base-Backbone interact. energy: -0.223 local terms energy: -663.330835 where: bonds (distance) C4'-P energy: -111.966 bonds (distance) P-C4' energy: -124.080 flat angles C4'-P-C4' energy: -152.185 flat angles P-C4'-P energy: -87.372 tors. eta vs tors. theta energy: -187.729 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 315 Temperature: 1.050000 Total energy: -2033.270675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2033.270675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2033.270675 (E_RNA) where: Base-Base interactions energy: -1365.151 where: short stacking energy: -558.572 Base-Backbone interact. energy: -1.179 local terms energy: -666.941480 where: bonds (distance) C4'-P energy: -110.499 bonds (distance) P-C4' energy: -127.112 flat angles C4'-P-C4' energy: -156.534 flat angles P-C4'-P energy: -95.896 tors. eta vs tors. theta energy: -176.900 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: 5, replica: 6 ===================================== Write number: 315 Temperature: 1.100000 Total energy: -1894.971128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1894.971128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1894.971128 (E_RNA) where: Base-Base interactions energy: -1266.525 where: short stacking energy: -529.212 Base-Backbone interact. energy: 0.210 local terms energy: -628.655645 where: bonds (distance) C4'-P energy: -116.175 bonds (distance) P-C4' energy: -119.469 flat angles C4'-P-C4' energy: -134.196 flat angles P-C4'-P energy: -91.062 tors. eta vs tors. theta energy: -167.753 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 315 Temperature: 1.150000 Total energy: -1746.429903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1746.429903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1746.429903 (E_RNA) where: Base-Base interactions energy: -1170.069 where: short stacking energy: -496.380 Base-Backbone interact. energy: -1.158 local terms energy: -575.203305 where: bonds (distance) C4'-P energy: -107.771 bonds (distance) P-C4' energy: -102.169 flat angles C4'-P-C4' energy: -119.965 flat angles P-C4'-P energy: -96.413 tors. eta vs tors. theta energy: -148.885 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 315 Temperature: 1.200000 Total energy: -1264.407424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1264.407424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1264.407424 (E_RNA) where: Base-Base interactions energy: -793.584 where: short stacking energy: -316.270 Base-Backbone interact. energy: 0.771 local terms energy: -471.594291 where: bonds (distance) C4'-P energy: -112.767 bonds (distance) P-C4' energy: -105.939 flat angles C4'-P-C4' energy: -114.328 flat angles P-C4'-P energy: -64.846 tors. eta vs tors. theta energy: -73.714 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: 3 ===================================== Write number: 315 Temperature: 1.250000 Total energy: -837.444932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -837.444932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -837.444932 (E_RNA) where: Base-Base interactions energy: -440.893 where: short stacking energy: -235.958 Base-Backbone interact. energy: 4.708 local terms energy: -401.259965 where: bonds (distance) C4'-P energy: -106.351 bonds (distance) P-C4' energy: -96.805 flat angles C4'-P-C4' energy: -122.587 flat angles P-C4'-P energy: -51.539 tors. eta vs tors. theta energy: -23.977 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: 9, replica: 9 ===================================== Write number: 315 Temperature: 1.300000 Total energy: -623.403933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -623.403933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -623.403933 (E_RNA) where: Base-Base interactions energy: -256.556 where: short stacking energy: -165.563 Base-Backbone interact. energy: -2.131 local terms energy: -364.716973 where: bonds (distance) C4'-P energy: -102.250 bonds (distance) P-C4' energy: -125.652 flat angles C4'-P-C4' energy: -95.191 flat angles P-C4'-P energy: -45.695 tors. eta vs tors. theta energy: 4.071 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 315 Temperature: 1.350000 Total energy: -498.948727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -498.948727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -498.948727 (E_RNA) where: Base-Base interactions energy: -178.769 where: short stacking energy: -129.847 Base-Backbone interact. energy: 0.491 local terms energy: -320.670492 where: bonds (distance) C4'-P energy: -107.444 bonds (distance) P-C4' energy: -109.160 flat angles C4'-P-C4' energy: -102.377 flat angles P-C4'-P energy: -33.320 tors. eta vs tors. theta energy: 31.632 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 316 Temperature: 0.900000 Total energy: -2247.456291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2247.456291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2247.456291 (E_RNA) where: Base-Base interactions energy: -1518.038 where: short stacking energy: -623.762 Base-Backbone interact. energy: -2.365 local terms energy: -727.053310 where: bonds (distance) C4'-P energy: -118.061 bonds (distance) P-C4' energy: -147.485 flat angles C4'-P-C4' energy: -156.003 flat angles P-C4'-P energy: -103.948 tors. eta vs tors. theta energy: -201.556 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 316 Temperature: 0.950000 Total energy: -2202.101411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2202.101411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2202.101411 (E_RNA) where: Base-Base interactions energy: -1501.007 where: short stacking energy: -619.478 Base-Backbone interact. energy: -1.888 local terms energy: -699.205866 where: bonds (distance) C4'-P energy: -117.806 bonds (distance) P-C4' energy: -122.274 flat angles C4'-P-C4' energy: -162.747 flat angles P-C4'-P energy: -92.354 tors. eta vs tors. theta energy: -204.024 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 316 Temperature: 1.000000 Total energy: -2168.486343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2168.486343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2168.486343 (E_RNA) where: Base-Base interactions energy: -1481.551 where: short stacking energy: -592.155 Base-Backbone interact. energy: 0.333 local terms energy: -687.267742 where: bonds (distance) C4'-P energy: -129.882 bonds (distance) P-C4' energy: -119.042 flat angles C4'-P-C4' energy: -145.737 flat angles P-C4'-P energy: -93.737 tors. eta vs tors. theta energy: -198.869 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 316 Temperature: 1.050000 Total energy: -2010.202871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2010.202871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2010.202871 (E_RNA) where: Base-Base interactions energy: -1373.949 where: short stacking energy: -552.521 Base-Backbone interact. energy: 2.981 local terms energy: -639.235040 where: bonds (distance) C4'-P energy: -124.339 bonds (distance) P-C4' energy: -126.555 flat angles C4'-P-C4' energy: -134.620 flat angles P-C4'-P energy: -83.452 tors. eta vs tors. theta energy: -170.268 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: 5, replica: 6 ===================================== Write number: 316 Temperature: 1.100000 Total energy: -1902.672430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1902.672430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1902.672430 (E_RNA) where: Base-Base interactions energy: -1282.311 where: short stacking energy: -555.207 Base-Backbone interact. energy: 2.499 local terms energy: -622.861100 where: bonds (distance) C4'-P energy: -103.447 bonds (distance) P-C4' energy: -109.998 flat angles C4'-P-C4' energy: -141.458 flat angles P-C4'-P energy: -84.257 tors. eta vs tors. theta energy: -183.702 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 316 Temperature: 1.150000 Total energy: -1715.476576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1715.476576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1715.476576 (E_RNA) where: Base-Base interactions energy: -1119.341 where: short stacking energy: -501.987 Base-Backbone interact. energy: 0.755 local terms energy: -596.890554 where: bonds (distance) C4'-P energy: -112.933 bonds (distance) P-C4' energy: -121.565 flat angles C4'-P-C4' energy: -129.572 flat angles P-C4'-P energy: -93.128 tors. eta vs tors. theta energy: -139.693 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: 7, replica: 1 ===================================== Write number: 316 Temperature: 1.200000 Total energy: -1225.667228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1225.667228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1225.667228 (E_RNA) where: Base-Base interactions energy: -766.009 where: short stacking energy: -331.649 Base-Backbone interact. energy: 0.004 local terms energy: -461.570394 where: bonds (distance) C4'-P energy: -101.103 bonds (distance) P-C4' energy: -97.683 flat angles C4'-P-C4' energy: -109.412 flat angles P-C4'-P energy: -76.240 tors. eta vs tors. theta energy: -77.132 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 1.908 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 316 Temperature: 1.250000 Total energy: -821.874121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -821.874121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -821.874121 (E_RNA) where: Base-Base interactions energy: -416.304 where: short stacking energy: -217.549 Base-Backbone interact. energy: 7.594 local terms energy: -413.163805 where: bonds (distance) C4'-P energy: -115.683 bonds (distance) P-C4' energy: -119.026 flat angles C4'-P-C4' energy: -115.042 flat angles P-C4'-P energy: -54.539 tors. eta vs tors. theta energy: -8.874 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: 9 ===================================== Write number: 316 Temperature: 1.300000 Total energy: -627.756550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -627.756550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -627.756550 (E_RNA) where: Base-Base interactions energy: -295.154 where: short stacking energy: -187.828 Base-Backbone interact. energy: -3.518 local terms energy: -329.085206 where: bonds (distance) C4'-P energy: -115.261 bonds (distance) P-C4' energy: -114.056 flat angles C4'-P-C4' energy: -63.880 flat angles P-C4'-P energy: -53.369 tors. eta vs tors. theta energy: 17.480 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 316 Temperature: 1.350000 Total energy: -473.021951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -473.021951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -473.021951 (E_RNA) where: Base-Base interactions energy: -148.152 where: short stacking energy: -121.625 Base-Backbone interact. energy: 3.573 local terms energy: -328.442921 where: bonds (distance) C4'-P energy: -113.942 bonds (distance) P-C4' energy: -116.771 flat angles C4'-P-C4' energy: -79.241 flat angles P-C4'-P energy: -56.049 tors. eta vs tors. theta energy: 37.559 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: 5 ===================================== Write number: 317 Temperature: 0.900000 Total energy: -2250.551361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2250.551361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2250.551361 (E_RNA) where: Base-Base interactions energy: -1502.377 where: short stacking energy: -597.309 Base-Backbone interact. energy: -2.950 local terms energy: -745.224202 where: bonds (distance) C4'-P energy: -139.174 bonds (distance) P-C4' energy: -144.288 flat angles C4'-P-C4' energy: -160.962 flat angles P-C4'-P energy: -102.610 tors. eta vs tors. theta energy: -198.189 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: 7 ===================================== Write number: 317 Temperature: 0.950000 Total energy: -2219.951940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2219.951940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2219.951940 (E_RNA) where: Base-Base interactions energy: -1513.058 where: short stacking energy: -610.883 Base-Backbone interact. energy: 1.128 local terms energy: -708.021466 where: bonds (distance) C4'-P energy: -123.006 bonds (distance) P-C4' energy: -127.626 flat angles C4'-P-C4' energy: -153.457 flat angles P-C4'-P energy: -96.654 tors. eta vs tors. theta energy: -207.279 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: 2 ===================================== Write number: 317 Temperature: 1.000000 Total energy: -2150.527013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2150.527013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2150.527013 (E_RNA) where: Base-Base interactions energy: -1456.460 where: short stacking energy: -606.712 Base-Backbone interact. energy: -3.390 local terms energy: -690.677055 where: bonds (distance) C4'-P energy: -116.541 bonds (distance) P-C4' energy: -128.170 flat angles C4'-P-C4' energy: -143.208 flat angles P-C4'-P energy: -98.345 tors. eta vs tors. theta energy: -204.413 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 317 Temperature: 1.050000 Total energy: -1981.686908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1981.686908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1981.686908 (E_RNA) where: Base-Base interactions energy: -1344.781 where: short stacking energy: -552.155 Base-Backbone interact. energy: -2.434 local terms energy: -634.471832 where: bonds (distance) C4'-P energy: -126.838 bonds (distance) P-C4' energy: -131.159 flat angles C4'-P-C4' energy: -138.337 flat angles P-C4'-P energy: -72.337 tors. eta vs tors. theta energy: -165.801 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 317 Temperature: 1.100000 Total energy: -1936.162756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1936.162756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1936.162756 (E_RNA) where: Base-Base interactions energy: -1297.381 where: short stacking energy: -582.341 Base-Backbone interact. energy: -1.049 local terms energy: -637.732222 where: bonds (distance) C4'-P energy: -114.492 bonds (distance) P-C4' energy: -111.846 flat angles C4'-P-C4' energy: -134.944 flat angles P-C4'-P energy: -92.969 tors. eta vs tors. theta energy: -183.481 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 317 Temperature: 1.150000 Total energy: -1700.067627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1700.067627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1700.067627 (E_RNA) where: Base-Base interactions energy: -1108.601 where: short stacking energy: -480.165 Base-Backbone interact. energy: -0.020 local terms energy: -591.446858 where: bonds (distance) C4'-P energy: -119.367 bonds (distance) P-C4' energy: -114.541 flat angles C4'-P-C4' energy: -129.759 flat angles P-C4'-P energy: -87.368 tors. eta vs tors. theta energy: -140.412 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 317 Temperature: 1.200000 Total energy: -1239.804792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1239.804792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1239.804792 (E_RNA) where: Base-Base interactions energy: -762.616 where: short stacking energy: -347.484 Base-Backbone interact. energy: -3.727 local terms energy: -473.461940 where: bonds (distance) C4'-P energy: -115.523 bonds (distance) P-C4' energy: -121.225 flat angles C4'-P-C4' energy: -107.964 flat angles P-C4'-P energy: -67.003 tors. eta vs tors. theta energy: -61.746 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: 3 ===================================== Write number: 317 Temperature: 1.250000 Total energy: -833.649331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -833.649331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -833.649331 (E_RNA) where: Base-Base interactions energy: -459.092 where: short stacking energy: -225.210 Base-Backbone interact. energy: -2.543 local terms energy: -372.014539 where: bonds (distance) C4'-P energy: -107.828 bonds (distance) P-C4' energy: -108.467 flat angles C4'-P-C4' energy: -103.037 flat angles P-C4'-P energy: -47.170 tors. eta vs tors. theta energy: -5.512 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 317 Temperature: 1.300000 Total energy: -633.590597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -633.590597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -633.590597 (E_RNA) where: Base-Base interactions energy: -293.979 where: short stacking energy: -181.343 Base-Backbone interact. energy: 2.999 local terms energy: -342.610001 where: bonds (distance) C4'-P energy: -100.337 bonds (distance) P-C4' energy: -104.271 flat angles C4'-P-C4' energy: -97.453 flat angles P-C4'-P energy: -52.900 tors. eta vs tors. theta energy: 12.351 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: 317 Temperature: 1.350000 Total energy: -501.805806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -501.805806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -501.805806 (E_RNA) where: Base-Base interactions energy: -168.756 where: short stacking energy: -137.266 Base-Backbone interact. energy: -1.984 local terms energy: -331.065406 where: bonds (distance) C4'-P energy: -95.642 bonds (distance) P-C4' energy: -114.598 flat angles C4'-P-C4' energy: -90.768 flat angles P-C4'-P energy: -59.383 tors. eta vs tors. theta energy: 29.326 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: 7 ===================================== Write number: 318 Temperature: 0.900000 Total energy: -2297.050750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2297.050750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2297.050750 (E_RNA) where: Base-Base interactions energy: -1551.584 where: short stacking energy: -646.623 Base-Backbone interact. energy: -1.858 local terms energy: -743.609487 where: bonds (distance) C4'-P energy: -127.813 bonds (distance) P-C4' energy: -147.174 flat angles C4'-P-C4' energy: -160.769 flat angles P-C4'-P energy: -97.830 tors. eta vs tors. theta energy: -210.023 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 318 Temperature: 0.950000 Total energy: -2203.249998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2203.249998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2203.249998 (E_RNA) where: Base-Base interactions energy: -1497.422 where: short stacking energy: -611.507 Base-Backbone interact. energy: -0.029 local terms energy: -705.798831 where: bonds (distance) C4'-P energy: -131.490 bonds (distance) P-C4' energy: -133.615 flat angles C4'-P-C4' energy: -141.403 flat angles P-C4'-P energy: -103.821 tors. eta vs tors. theta energy: -195.469 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: 3, replica: 2 ===================================== Write number: 318 Temperature: 1.000000 Total energy: -2178.037488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2178.037488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2178.037488 (E_RNA) where: Base-Base interactions energy: -1478.296 where: short stacking energy: -619.528 Base-Backbone interact. energy: -2.534 local terms energy: -697.206884 where: bonds (distance) C4'-P energy: -137.324 bonds (distance) P-C4' energy: -127.909 flat angles C4'-P-C4' energy: -138.457 flat angles P-C4'-P energy: -87.223 tors. eta vs tors. theta energy: -206.295 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: 8 ===================================== Write number: 318 Temperature: 1.050000 Total energy: -2025.459888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2025.459888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2025.459888 (E_RNA) where: Base-Base interactions energy: -1345.979 where: short stacking energy: -573.303 Base-Backbone interact. energy: -5.052 local terms energy: -674.429071 where: bonds (distance) C4'-P energy: -125.969 bonds (distance) P-C4' energy: -126.997 flat angles C4'-P-C4' energy: -144.886 flat angles P-C4'-P energy: -105.228 tors. eta vs tors. theta energy: -171.349 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 318 Temperature: 1.100000 Total energy: -1933.740454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1933.740454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1933.740454 (E_RNA) where: Base-Base interactions energy: -1300.519 where: short stacking energy: -571.738 Base-Backbone interact. energy: 1.225 local terms energy: -634.446532 where: bonds (distance) C4'-P energy: -109.092 bonds (distance) P-C4' energy: -133.654 flat angles C4'-P-C4' energy: -127.563 flat angles P-C4'-P energy: -89.055 tors. eta vs tors. theta energy: -175.084 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 318 Temperature: 1.150000 Total energy: -1650.978091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1650.978091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1650.978091 (E_RNA) where: Base-Base interactions energy: -1078.161 where: short stacking energy: -466.538 Base-Backbone interact. energy: -0.007 local terms energy: -572.810179 where: bonds (distance) C4'-P energy: -119.749 bonds (distance) P-C4' energy: -97.858 flat angles C4'-P-C4' energy: -129.177 flat angles P-C4'-P energy: -84.362 tors. eta vs tors. theta energy: -141.664 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 318 Temperature: 1.200000 Total energy: -1205.257719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1205.257719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1205.257719 (E_RNA) where: Base-Base interactions energy: -713.917 where: short stacking energy: -321.596 Base-Backbone interact. energy: -2.691 local terms energy: -488.650025 where: bonds (distance) C4'-P energy: -103.458 bonds (distance) P-C4' energy: -121.198 flat angles C4'-P-C4' energy: -124.977 flat angles P-C4'-P energy: -83.161 tors. eta vs tors. theta energy: -55.856 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 318 Temperature: 1.250000 Total energy: -909.233150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -909.233150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -909.233150 (E_RNA) where: Base-Base interactions energy: -461.815 where: short stacking energy: -239.239 Base-Backbone interact. energy: -1.350 local terms energy: -446.068087 where: bonds (distance) C4'-P energy: -115.690 bonds (distance) P-C4' energy: -115.405 flat angles C4'-P-C4' energy: -109.310 flat angles P-C4'-P energy: -62.529 tors. eta vs tors. theta energy: -43.134 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: 4 ===================================== Write number: 318 Temperature: 1.300000 Total energy: -545.600418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -545.600418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -545.600418 (E_RNA) where: Base-Base interactions energy: -219.011 where: short stacking energy: -145.138 Base-Backbone interact. energy: 6.683 local terms energy: -333.271498 where: bonds (distance) C4'-P energy: -113.475 bonds (distance) P-C4' energy: -88.618 flat angles C4'-P-C4' energy: -94.256 flat angles P-C4'-P energy: -46.429 tors. eta vs tors. theta energy: 9.506 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 318 Temperature: 1.350000 Total energy: -656.128101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -656.128101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -656.128101 (E_RNA) where: Base-Base interactions energy: -275.920 where: short stacking energy: -145.605 Base-Backbone interact. energy: -2.508 local terms energy: -377.699845 where: bonds (distance) C4'-P energy: -108.474 bonds (distance) P-C4' energy: -111.438 flat angles C4'-P-C4' energy: -104.697 flat angles P-C4'-P energy: -62.994 tors. eta vs tors. theta energy: 9.903 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 319 Temperature: 0.900000 Total energy: -2266.334890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2266.334890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2266.334890 (E_RNA) where: Base-Base interactions energy: -1553.215 where: short stacking energy: -652.067 Base-Backbone interact. energy: -0.584 local terms energy: -712.535182 where: bonds (distance) C4'-P energy: -129.945 bonds (distance) P-C4' energy: -134.872 flat angles C4'-P-C4' energy: -155.293 flat angles P-C4'-P energy: -93.108 tors. eta vs tors. theta energy: -199.317 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 319 Temperature: 0.950000 Total energy: -2168.521700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2168.521700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2168.521700 (E_RNA) where: Base-Base interactions energy: -1483.796 where: short stacking energy: -602.932 Base-Backbone interact. energy: 0.791 local terms energy: -685.516827 where: bonds (distance) C4'-P energy: -120.105 bonds (distance) P-C4' energy: -137.838 flat angles C4'-P-C4' energy: -138.244 flat angles P-C4'-P energy: -97.930 tors. eta vs tors. theta energy: -191.400 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: 2 ===================================== Write number: 319 Temperature: 1.000000 Total energy: -2125.371152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2125.371152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2125.371152 (E_RNA) where: Base-Base interactions energy: -1462.877 where: short stacking energy: -585.004 Base-Backbone interact. energy: 0.221 local terms energy: -662.715185 where: bonds (distance) C4'-P energy: -131.869 bonds (distance) P-C4' energy: -132.723 flat angles C4'-P-C4' energy: -124.865 flat angles P-C4'-P energy: -74.619 tors. eta vs tors. theta energy: -198.640 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: 8 ===================================== Write number: 319 Temperature: 1.050000 Total energy: -2007.339608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2007.339608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2007.339608 (E_RNA) where: Base-Base interactions energy: -1332.171 where: short stacking energy: -593.925 Base-Backbone interact. energy: -1.685 local terms energy: -673.482943 where: bonds (distance) C4'-P energy: -119.655 bonds (distance) P-C4' energy: -137.061 flat angles C4'-P-C4' energy: -143.363 flat angles P-C4'-P energy: -87.948 tors. eta vs tors. theta energy: -185.455 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: 6 ===================================== Write number: 319 Temperature: 1.100000 Total energy: -1916.824535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1916.824535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1916.824535 (E_RNA) where: Base-Base interactions energy: -1302.524 where: short stacking energy: -536.896 Base-Backbone interact. energy: 0.584 local terms energy: -614.884860 where: bonds (distance) C4'-P energy: -111.217 bonds (distance) P-C4' energy: -118.357 flat angles C4'-P-C4' energy: -133.675 flat angles P-C4'-P energy: -76.788 tors. eta vs tors. theta energy: -174.847 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 319 Temperature: 1.150000 Total energy: -1657.584264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1657.584264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1657.584264 (E_RNA) where: Base-Base interactions energy: -1126.427 where: short stacking energy: -480.271 Base-Backbone interact. energy: -2.809 local terms energy: -528.347312 where: bonds (distance) C4'-P energy: -102.493 bonds (distance) P-C4' energy: -125.594 flat angles C4'-P-C4' energy: -120.169 flat angles P-C4'-P energy: -58.494 tors. eta vs tors. theta energy: -121.598 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 319 Temperature: 1.200000 Total energy: -1232.477082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1232.477082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1232.477082 (E_RNA) where: Base-Base interactions energy: -748.932 where: short stacking energy: -331.445 Base-Backbone interact. energy: -2.295 local terms energy: -481.249651 where: bonds (distance) C4'-P energy: -101.917 bonds (distance) P-C4' energy: -128.276 flat angles C4'-P-C4' energy: -111.421 flat angles P-C4'-P energy: -64.546 tors. eta vs tors. theta energy: -75.090 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 319 Temperature: 1.250000 Total energy: -914.719329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -914.719329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -914.719329 (E_RNA) where: Base-Base interactions energy: -479.575 where: short stacking energy: -260.872 Base-Backbone interact. energy: -2.534 local terms energy: -432.610505 where: bonds (distance) C4'-P energy: -120.344 bonds (distance) P-C4' energy: -104.641 flat angles C4'-P-C4' energy: -101.893 flat angles P-C4'-P energy: -65.469 tors. eta vs tors. theta energy: -40.264 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 319 Temperature: 1.300000 Total energy: -559.773449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -559.773449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -559.773449 (E_RNA) where: Base-Base interactions energy: -192.840 where: short stacking energy: -141.669 Base-Backbone interact. energy: 6.246 local terms energy: -373.179170 where: bonds (distance) C4'-P energy: -107.061 bonds (distance) P-C4' energy: -111.844 flat angles C4'-P-C4' energy: -113.243 flat angles P-C4'-P energy: -62.502 tors. eta vs tors. theta energy: 21.471 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: 10, replica: 9 ===================================== Write number: 319 Temperature: 1.350000 Total energy: -634.660755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -634.660755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -634.660755 (E_RNA) where: Base-Base interactions energy: -294.480 where: short stacking energy: -181.261 Base-Backbone interact. energy: 2.966 local terms energy: -343.146864 where: bonds (distance) C4'-P energy: -103.899 bonds (distance) P-C4' energy: -100.247 flat angles C4'-P-C4' energy: -99.681 flat angles P-C4'-P energy: -48.504 tors. eta vs tors. theta energy: 9.184 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 320 Temperature: 0.900000 Total energy: -2242.772462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2242.772462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2242.772462 (E_RNA) where: Base-Base interactions energy: -1522.300 where: short stacking energy: -626.160 Base-Backbone interact. energy: -3.241 local terms energy: -717.230959 where: bonds (distance) C4'-P energy: -129.923 bonds (distance) P-C4' energy: -136.776 flat angles C4'-P-C4' energy: -158.583 flat angles P-C4'-P energy: -96.768 tors. eta vs tors. theta energy: -195.181 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 320 Temperature: 0.950000 Total energy: -2164.957370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2164.957370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2164.957370 (E_RNA) where: Base-Base interactions energy: -1475.452 where: short stacking energy: -593.380 Base-Backbone interact. energy: -2.336 local terms energy: -687.168572 where: bonds (distance) C4'-P energy: -110.912 bonds (distance) P-C4' energy: -139.625 flat angles C4'-P-C4' energy: -153.721 flat angles P-C4'-P energy: -89.801 tors. eta vs tors. theta energy: -193.109 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 320 Temperature: 1.000000 Total energy: -2149.003508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2149.003508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2149.003508 (E_RNA) where: Base-Base interactions energy: -1463.657 where: short stacking energy: -648.086 Base-Backbone interact. energy: -0.001 local terms energy: -685.346034 where: bonds (distance) C4'-P energy: -127.196 bonds (distance) P-C4' energy: -119.716 flat angles C4'-P-C4' energy: -151.911 flat angles P-C4'-P energy: -90.317 tors. eta vs tors. theta energy: -196.205 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 320 Temperature: 1.050000 Total energy: -1956.450595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1956.450595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1956.450595 (E_RNA) where: Base-Base interactions energy: -1308.029 where: short stacking energy: -544.190 Base-Backbone interact. energy: -0.098 local terms energy: -648.323179 where: bonds (distance) C4'-P energy: -131.579 bonds (distance) P-C4' energy: -129.806 flat angles C4'-P-C4' energy: -130.876 flat angles P-C4'-P energy: -80.187 tors. eta vs tors. theta energy: -175.876 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 320 Temperature: 1.100000 Total energy: -1914.941114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1914.941114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1914.941114 (E_RNA) where: Base-Base interactions energy: -1308.463 where: short stacking energy: -559.129 Base-Backbone interact. energy: 0.912 local terms energy: -607.390201 where: bonds (distance) C4'-P energy: -113.652 bonds (distance) P-C4' energy: -119.918 flat angles C4'-P-C4' energy: -130.515 flat angles P-C4'-P energy: -73.179 tors. eta vs tors. theta energy: -170.126 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 320 Temperature: 1.150000 Total energy: -1603.093925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1603.093925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1603.093925 (E_RNA) where: Base-Base interactions energy: -1045.759 where: short stacking energy: -440.499 Base-Backbone interact. energy: 2.859 local terms energy: -560.194016 where: bonds (distance) C4'-P energy: -108.079 bonds (distance) P-C4' energy: -122.367 flat angles C4'-P-C4' energy: -133.882 flat angles P-C4'-P energy: -82.091 tors. eta vs tors. theta energy: -113.776 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: 1 ===================================== Write number: 320 Temperature: 1.200000 Total energy: -1261.511228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1261.511228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1261.511228 (E_RNA) where: Base-Base interactions energy: -799.032 where: short stacking energy: -348.993 Base-Backbone interact. energy: 7.765 local terms energy: -470.243396 where: bonds (distance) C4'-P energy: -104.151 bonds (distance) P-C4' energy: -117.057 flat angles C4'-P-C4' energy: -107.530 flat angles P-C4'-P energy: -74.607 tors. eta vs tors. theta energy: -66.898 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 320 Temperature: 1.250000 Total energy: -937.682215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -937.682215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -937.682215 (E_RNA) where: Base-Base interactions energy: -522.782 where: short stacking energy: -278.113 Base-Backbone interact. energy: -0.913 local terms energy: -413.987917 where: bonds (distance) C4'-P energy: -97.216 bonds (distance) P-C4' energy: -102.727 flat angles C4'-P-C4' energy: -103.222 flat angles P-C4'-P energy: -53.104 tors. eta vs tors. theta energy: -57.719 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 320 Temperature: 1.300000 Total energy: -663.274334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -663.274334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -663.274334 (E_RNA) where: Base-Base interactions energy: -292.039 where: short stacking energy: -188.062 Base-Backbone interact. energy: -3.705 local terms energy: -367.531047 where: bonds (distance) C4'-P energy: -120.215 bonds (distance) P-C4' energy: -100.929 flat angles C4'-P-C4' energy: -95.489 flat angles P-C4'-P energy: -40.186 tors. eta vs tors. theta energy: -10.712 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 320 Temperature: 1.350000 Total energy: -501.134533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -501.134533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -501.134533 (E_RNA) where: Base-Base interactions energy: -189.191 where: short stacking energy: -138.958 Base-Backbone interact. energy: 8.911 local terms energy: -320.854938 where: bonds (distance) C4'-P energy: -115.878 bonds (distance) P-C4' energy: -102.644 flat angles C4'-P-C4' energy: -79.280 flat angles P-C4'-P energy: -60.862 tors. eta vs tors. theta energy: 37.808 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: 7 ===================================== Write number: 321 Temperature: 0.900000 Total energy: -2243.132825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2243.132825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2243.132825 (E_RNA) where: Base-Base interactions energy: -1521.241 where: short stacking energy: -623.343 Base-Backbone interact. energy: -3.808 local terms energy: -718.083790 where: bonds (distance) C4'-P energy: -130.730 bonds (distance) P-C4' energy: -146.774 flat angles C4'-P-C4' energy: -137.082 flat angles P-C4'-P energy: -104.550 tors. eta vs tors. theta energy: -198.947 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 321 Temperature: 0.950000 Total energy: -2162.425833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2162.425833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2162.425833 (E_RNA) where: Base-Base interactions energy: -1495.425 where: short stacking energy: -594.389 Base-Backbone interact. energy: -1.974 local terms energy: -665.026504 where: bonds (distance) C4'-P energy: -117.693 bonds (distance) P-C4' energy: -127.463 flat angles C4'-P-C4' energy: -139.835 flat angles P-C4'-P energy: -100.787 tors. eta vs tors. theta energy: -179.249 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: 2 ===================================== Write number: 321 Temperature: 1.000000 Total energy: -2117.533459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2117.533459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2117.533459 (E_RNA) where: Base-Base interactions energy: -1441.392 where: short stacking energy: -603.838 Base-Backbone interact. energy: -0.884 local terms energy: -675.257565 where: bonds (distance) C4'-P energy: -115.041 bonds (distance) P-C4' energy: -126.758 flat angles C4'-P-C4' energy: -142.071 flat angles P-C4'-P energy: -96.191 tors. eta vs tors. theta energy: -195.197 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 321 Temperature: 1.050000 Total energy: -1988.862242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1988.862242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1988.862242 (E_RNA) where: Base-Base interactions energy: -1348.169 where: short stacking energy: -543.460 Base-Backbone interact. energy: 0.521 local terms energy: -641.214098 where: bonds (distance) C4'-P energy: -125.810 bonds (distance) P-C4' energy: -113.136 flat angles C4'-P-C4' energy: -124.396 flat angles P-C4'-P energy: -99.916 tors. eta vs tors. theta energy: -177.957 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: 8 ===================================== Write number: 321 Temperature: 1.100000 Total energy: -1864.316069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1864.316069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1864.316069 (E_RNA) where: Base-Base interactions energy: -1272.227 where: short stacking energy: -530.762 Base-Backbone interact. energy: -0.663 local terms energy: -591.426275 where: bonds (distance) C4'-P energy: -101.076 bonds (distance) P-C4' energy: -121.849 flat angles C4'-P-C4' energy: -123.624 flat angles P-C4'-P energy: -87.203 tors. eta vs tors. theta energy: -157.675 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: 10 ===================================== Write number: 321 Temperature: 1.150000 Total energy: -1609.109628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1609.109628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1609.109628 (E_RNA) where: Base-Base interactions energy: -1059.792 where: short stacking energy: -488.274 Base-Backbone interact. energy: -4.421 local terms energy: -544.896530 where: bonds (distance) C4'-P energy: -96.755 bonds (distance) P-C4' energy: -112.995 flat angles C4'-P-C4' energy: -124.914 flat angles P-C4'-P energy: -76.936 tors. eta vs tors. theta energy: -133.296 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 321 Temperature: 1.200000 Total energy: -1204.154308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1204.154308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1204.154308 (E_RNA) where: Base-Base interactions energy: -757.472 where: short stacking energy: -327.614 Base-Backbone interact. energy: 8.995 local terms energy: -455.677537 where: bonds (distance) C4'-P energy: -102.328 bonds (distance) P-C4' energy: -120.719 flat angles C4'-P-C4' energy: -99.688 flat angles P-C4'-P energy: -78.163 tors. eta vs tors. theta energy: -54.780 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 321 Temperature: 1.250000 Total energy: -1007.961127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1007.961127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1007.961127 (E_RNA) where: Base-Base interactions energy: -575.573 where: short stacking energy: -272.746 Base-Backbone interact. energy: 0.101 local terms energy: -432.489378 where: bonds (distance) C4'-P energy: -120.293 bonds (distance) P-C4' energy: -108.250 flat angles C4'-P-C4' energy: -96.869 flat angles P-C4'-P energy: -61.515 tors. eta vs tors. theta energy: -45.562 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: 9 ===================================== Write number: 321 Temperature: 1.300000 Total energy: -726.984208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -726.984208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -726.984208 (E_RNA) where: Base-Base interactions energy: -343.800 where: short stacking energy: -204.536 Base-Backbone interact. energy: -3.442 local terms energy: -379.742352 where: bonds (distance) C4'-P energy: -104.483 bonds (distance) P-C4' energy: -122.183 flat angles C4'-P-C4' energy: -85.633 flat angles P-C4'-P energy: -64.466 tors. eta vs tors. theta energy: -2.978 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 321 Temperature: 1.350000 Total energy: -536.260633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -536.260633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -536.260633 (E_RNA) where: Base-Base interactions energy: -190.435 where: short stacking energy: -120.994 Base-Backbone interact. energy: 0.951 local terms energy: -346.777281 where: bonds (distance) C4'-P energy: -99.432 bonds (distance) P-C4' energy: -115.439 flat angles C4'-P-C4' energy: -105.742 flat angles P-C4'-P energy: -38.221 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: 1, replica: 7 ===================================== Write number: 322 Temperature: 0.900000 Total energy: -2266.436616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2266.436616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2266.436616 (E_RNA) where: Base-Base interactions energy: -1545.178 where: short stacking energy: -636.934 Base-Backbone interact. energy: -1.553 local terms energy: -719.705630 where: bonds (distance) C4'-P energy: -142.069 bonds (distance) P-C4' energy: -127.397 flat angles C4'-P-C4' energy: -141.242 flat angles P-C4'-P energy: -89.780 tors. eta vs tors. theta energy: -219.217 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 322 Temperature: 0.950000 Total energy: -2165.640856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2165.640856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2165.640856 (E_RNA) where: Base-Base interactions energy: -1489.799 where: short stacking energy: -610.148 Base-Backbone interact. energy: -1.531 local terms energy: -674.310857 where: bonds (distance) C4'-P energy: -130.265 bonds (distance) P-C4' energy: -131.476 flat angles C4'-P-C4' energy: -144.420 flat angles P-C4'-P energy: -85.214 tors. eta vs tors. theta energy: -182.935 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 322 Temperature: 1.000000 Total energy: -2114.976906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2114.976906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2114.976906 (E_RNA) where: Base-Base interactions energy: -1427.978 where: short stacking energy: -601.192 Base-Backbone interact. energy: -1.804 local terms energy: -685.194500 where: bonds (distance) C4'-P energy: -130.468 bonds (distance) P-C4' energy: -127.968 flat angles C4'-P-C4' energy: -143.911 flat angles P-C4'-P energy: -95.134 tors. eta vs tors. theta energy: -187.714 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 322 Temperature: 1.050000 Total energy: -2005.373470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2005.373470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2005.373470 (E_RNA) where: Base-Base interactions energy: -1318.827 where: short stacking energy: -591.472 Base-Backbone interact. energy: -4.131 local terms energy: -682.415155 where: bonds (distance) C4'-P energy: -126.084 bonds (distance) P-C4' energy: -134.451 flat angles C4'-P-C4' energy: -141.553 flat angles P-C4'-P energy: -93.946 tors. eta vs tors. theta energy: -186.381 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: 5, replica: 8 ===================================== Write number: 322 Temperature: 1.100000 Total energy: -1943.120404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1943.120404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1943.120404 (E_RNA) where: Base-Base interactions energy: -1322.016 where: short stacking energy: -555.109 Base-Backbone interact. energy: -1.856 local terms energy: -619.248832 where: bonds (distance) C4'-P energy: -96.600 bonds (distance) P-C4' energy: -122.993 flat angles C4'-P-C4' energy: -141.322 flat angles P-C4'-P energy: -82.895 tors. eta vs tors. theta energy: -175.439 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 322 Temperature: 1.150000 Total energy: -1648.293640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1648.293640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1648.293640 (E_RNA) where: Base-Base interactions energy: -1099.743 where: short stacking energy: -482.180 Base-Backbone interact. energy: -3.487 local terms energy: -545.064388 where: bonds (distance) C4'-P energy: -115.221 bonds (distance) P-C4' energy: -95.789 flat angles C4'-P-C4' energy: -124.207 flat angles P-C4'-P energy: -72.174 tors. eta vs tors. theta energy: -137.674 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: 7, replica: 1 ===================================== Write number: 322 Temperature: 1.200000 Total energy: -1180.635276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1180.635276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1180.635276 (E_RNA) where: Base-Base interactions energy: -728.546 where: short stacking energy: -330.931 Base-Backbone interact. energy: -2.548 local terms energy: -449.540993 where: bonds (distance) C4'-P energy: -96.925 bonds (distance) P-C4' energy: -106.267 flat angles C4'-P-C4' energy: -111.265 flat angles P-C4'-P energy: -66.301 tors. eta vs tors. theta energy: -68.782 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 322 Temperature: 1.250000 Total energy: -967.637674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -967.637674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -967.637674 (E_RNA) where: Base-Base interactions energy: -560.012 where: short stacking energy: -256.379 Base-Backbone interact. energy: -1.738 local terms energy: -405.887950 where: bonds (distance) C4'-P energy: -118.478 bonds (distance) P-C4' energy: -102.215 flat angles C4'-P-C4' energy: -108.397 flat angles P-C4'-P energy: -60.178 tors. eta vs tors. theta energy: -16.621 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 322 Temperature: 1.300000 Total energy: -742.078819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -742.078819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -742.078819 (E_RNA) where: Base-Base interactions energy: -362.001 where: short stacking energy: -212.691 Base-Backbone interact. energy: -2.820 local terms energy: -377.257232 where: bonds (distance) C4'-P energy: -92.267 bonds (distance) P-C4' energy: -113.838 flat angles C4'-P-C4' energy: -96.800 flat angles P-C4'-P energy: -56.178 tors. eta vs tors. theta energy: -18.174 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: 4 ===================================== Write number: 322 Temperature: 1.350000 Total energy: -492.389360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -492.389360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -492.389360 (E_RNA) where: Base-Base interactions energy: -149.800 where: short stacking energy: -97.587 Base-Backbone interact. energy: 2.281 local terms energy: -344.870264 where: bonds (distance) C4'-P energy: -133.520 bonds (distance) P-C4' energy: -110.917 flat angles C4'-P-C4' energy: -89.105 flat angles P-C4'-P energy: -49.791 tors. eta vs tors. theta energy: 38.463 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 323 Temperature: 0.900000 Total energy: -2278.820108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2278.820108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2278.820108 (E_RNA) where: Base-Base interactions energy: -1559.415 where: short stacking energy: -657.771 Base-Backbone interact. energy: -3.396 local terms energy: -716.008502 where: bonds (distance) C4'-P energy: -145.029 bonds (distance) P-C4' energy: -124.206 flat angles C4'-P-C4' energy: -138.387 flat angles P-C4'-P energy: -102.737 tors. eta vs tors. theta energy: -205.650 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 323 Temperature: 0.950000 Total energy: -2143.307269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2143.307269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2143.307269 (E_RNA) where: Base-Base interactions energy: -1437.110 where: short stacking energy: -613.346 Base-Backbone interact. energy: -1.976 local terms energy: -704.220950 where: bonds (distance) C4'-P energy: -135.033 bonds (distance) P-C4' energy: -133.954 flat angles C4'-P-C4' energy: -149.922 flat angles P-C4'-P energy: -102.800 tors. eta vs tors. theta energy: -182.511 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 323 Temperature: 1.000000 Total energy: -2122.998254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2122.998254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2122.998254 (E_RNA) where: Base-Base interactions energy: -1447.373 where: short stacking energy: -600.464 Base-Backbone interact. energy: -4.618 local terms energy: -671.007417 where: bonds (distance) C4'-P energy: -111.111 bonds (distance) P-C4' energy: -131.079 flat angles C4'-P-C4' energy: -149.309 flat angles P-C4'-P energy: -95.465 tors. eta vs tors. theta energy: -184.044 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 323 Temperature: 1.050000 Total energy: -1993.153059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1993.153059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1993.153059 (E_RNA) where: Base-Base interactions energy: -1334.915 where: short stacking energy: -562.189 Base-Backbone interact. energy: 1.530 local terms energy: -659.768423 where: bonds (distance) C4'-P energy: -133.349 bonds (distance) P-C4' energy: -130.468 flat angles C4'-P-C4' energy: -142.616 flat angles P-C4'-P energy: -78.025 tors. eta vs tors. theta energy: -175.311 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 323 Temperature: 1.100000 Total energy: -1948.913608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1948.913608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1948.913608 (E_RNA) where: Base-Base interactions energy: -1284.401 where: short stacking energy: -549.818 Base-Backbone interact. energy: -1.343 local terms energy: -663.169121 where: bonds (distance) C4'-P energy: -130.414 bonds (distance) P-C4' energy: -130.377 flat angles C4'-P-C4' energy: -141.427 flat angles P-C4'-P energy: -82.504 tors. eta vs tors. theta energy: -178.448 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 323 Temperature: 1.150000 Total energy: -1594.826444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1594.826444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1594.826444 (E_RNA) where: Base-Base interactions energy: -1046.249 where: short stacking energy: -424.399 Base-Backbone interact. energy: -1.721 local terms energy: -546.856923 where: bonds (distance) C4'-P energy: -107.767 bonds (distance) P-C4' energy: -127.748 flat angles C4'-P-C4' energy: -114.644 flat angles P-C4'-P energy: -80.382 tors. eta vs tors. theta energy: -116.315 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 323 Temperature: 1.200000 Total energy: -1142.336664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1142.336664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1142.336664 (E_RNA) where: Base-Base interactions energy: -661.807 where: short stacking energy: -324.849 Base-Backbone interact. energy: 9.501 local terms energy: -490.030205 where: bonds (distance) C4'-P energy: -104.001 bonds (distance) P-C4' energy: -134.627 flat angles C4'-P-C4' energy: -119.384 flat angles P-C4'-P energy: -72.978 tors. eta vs tors. theta energy: -59.040 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 323 Temperature: 1.250000 Total energy: -963.982206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -963.982206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -963.982206 (E_RNA) where: Base-Base interactions energy: -563.368 where: short stacking energy: -303.976 Base-Backbone interact. energy: 2.752 local terms energy: -403.366671 where: bonds (distance) C4'-P energy: -96.014 bonds (distance) P-C4' energy: -118.729 flat angles C4'-P-C4' energy: -105.053 flat angles P-C4'-P energy: -55.651 tors. eta vs tors. theta energy: -27.920 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 323 Temperature: 1.300000 Total energy: -672.351920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -672.351920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -672.351920 (E_RNA) where: Base-Base interactions energy: -329.542 where: short stacking energy: -184.602 Base-Backbone interact. energy: 6.339 local terms energy: -349.149002 where: bonds (distance) C4'-P energy: -96.027 bonds (distance) P-C4' energy: -92.950 flat angles C4'-P-C4' energy: -109.110 flat angles P-C4'-P energy: -52.927 tors. eta vs tors. theta energy: 1.865 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: 4 ===================================== Write number: 323 Temperature: 1.350000 Total energy: -503.472952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -503.472952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -503.472952 (E_RNA) where: Base-Base interactions energy: -191.620 where: short stacking energy: -138.658 Base-Backbone interact. energy: 2.460 local terms energy: -314.312759 where: bonds (distance) C4'-P energy: -82.106 bonds (distance) P-C4' energy: -111.908 flat angles C4'-P-C4' energy: -83.589 flat angles P-C4'-P energy: -44.971 tors. eta vs tors. theta energy: 8.261 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: 7 ===================================== Write number: 324 Temperature: 0.900000 Total energy: -2267.525234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2267.525234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2267.525234 (E_RNA) where: Base-Base interactions energy: -1525.080 where: short stacking energy: -640.720 Base-Backbone interact. energy: -1.584 local terms energy: -740.861455 where: bonds (distance) C4'-P energy: -136.630 bonds (distance) P-C4' energy: -141.493 flat angles C4'-P-C4' energy: -152.974 flat angles P-C4'-P energy: -104.954 tors. eta vs tors. theta energy: -204.811 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 324 Temperature: 0.950000 Total energy: -2176.102147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2176.102147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2176.102147 (E_RNA) where: Base-Base interactions energy: -1470.862 where: short stacking energy: -634.991 Base-Backbone interact. energy: -0.131 local terms energy: -705.108879 where: bonds (distance) C4'-P energy: -122.387 bonds (distance) P-C4' energy: -123.920 flat angles C4'-P-C4' energy: -149.644 flat angles P-C4'-P energy: -107.020 tors. eta vs tors. theta energy: -202.138 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 324 Temperature: 1.000000 Total energy: -2118.003494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2118.003494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2118.003494 (E_RNA) where: Base-Base interactions energy: -1470.664 where: short stacking energy: -577.771 Base-Backbone interact. energy: 2.026 local terms energy: -649.365248 where: bonds (distance) C4'-P energy: -117.104 bonds (distance) P-C4' energy: -123.455 flat angles C4'-P-C4' energy: -139.681 flat angles P-C4'-P energy: -86.723 tors. eta vs tors. theta energy: -182.403 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 324 Temperature: 1.050000 Total energy: -2017.238742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2017.238742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2017.238742 (E_RNA) where: Base-Base interactions energy: -1347.759 where: short stacking energy: -594.950 Base-Backbone interact. energy: -0.511 local terms energy: -668.968919 where: bonds (distance) C4'-P energy: -121.749 bonds (distance) P-C4' energy: -122.779 flat angles C4'-P-C4' energy: -145.159 flat angles P-C4'-P energy: -93.789 tors. eta vs tors. theta energy: -185.492 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: 8 ===================================== Write number: 324 Temperature: 1.100000 Total energy: -1919.776846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1919.776846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1919.776846 (E_RNA) where: Base-Base interactions energy: -1295.394 where: short stacking energy: -530.233 Base-Backbone interact. energy: -0.942 local terms energy: -623.440583 where: bonds (distance) C4'-P energy: -115.401 bonds (distance) P-C4' energy: -116.791 flat angles C4'-P-C4' energy: -132.444 flat angles P-C4'-P energy: -85.403 tors. eta vs tors. theta energy: -173.402 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 324 Temperature: 1.150000 Total energy: -1571.858917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1571.858917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1571.858917 (E_RNA) where: Base-Base interactions energy: -1009.969 where: short stacking energy: -443.875 Base-Backbone interact. energy: -1.288 local terms energy: -560.601650 where: bonds (distance) C4'-P energy: -103.065 bonds (distance) P-C4' energy: -126.812 flat angles C4'-P-C4' energy: -122.685 flat angles P-C4'-P energy: -83.317 tors. eta vs tors. theta energy: -124.723 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 324 Temperature: 1.200000 Total energy: -1158.167456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1158.167456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1158.167456 (E_RNA) where: Base-Base interactions energy: -687.444 where: short stacking energy: -339.896 Base-Backbone interact. energy: 1.055 local terms energy: -471.778327 where: bonds (distance) C4'-P energy: -112.604 bonds (distance) P-C4' energy: -123.333 flat angles C4'-P-C4' energy: -104.591 flat angles P-C4'-P energy: -63.665 tors. eta vs tors. theta energy: -67.586 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 324 Temperature: 1.250000 Total energy: -918.451289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -918.451289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -918.451289 (E_RNA) where: Base-Base interactions energy: -493.662 where: short stacking energy: -233.472 Base-Backbone interact. energy: -3.048 local terms energy: -421.742071 where: bonds (distance) C4'-P energy: -98.076 bonds (distance) P-C4' energy: -122.169 flat angles C4'-P-C4' energy: -114.807 flat angles P-C4'-P energy: -54.147 tors. eta vs tors. theta energy: -32.543 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 324 Temperature: 1.300000 Total energy: -655.573606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -655.573606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -655.573606 (E_RNA) where: Base-Base interactions energy: -296.877 where: short stacking energy: -170.609 Base-Backbone interact. energy: -2.570 local terms energy: -356.126840 where: bonds (distance) C4'-P energy: -111.502 bonds (distance) P-C4' energy: -99.446 flat angles C4'-P-C4' energy: -101.572 flat angles P-C4'-P energy: -51.634 tors. eta vs tors. theta energy: 8.027 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 324 Temperature: 1.350000 Total energy: -528.145310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -528.145310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -528.145310 (E_RNA) where: Base-Base interactions energy: -192.508 where: short stacking energy: -119.717 Base-Backbone interact. energy: 0.443 local terms energy: -336.080952 where: bonds (distance) C4'-P energy: -101.064 bonds (distance) P-C4' energy: -120.814 flat angles C4'-P-C4' energy: -84.669 flat angles P-C4'-P energy: -60.103 tors. eta vs tors. theta energy: 30.569 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: 7 ===================================== Write number: 325 Temperature: 0.900000 Total energy: -2246.158158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2246.158158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2246.158158 (E_RNA) where: Base-Base interactions energy: -1498.050 where: short stacking energy: -635.797 Base-Backbone interact. energy: -3.676 local terms energy: -744.432220 where: bonds (distance) C4'-P energy: -124.761 bonds (distance) P-C4' energy: -137.813 flat angles C4'-P-C4' energy: -158.937 flat angles P-C4'-P energy: -114.478 tors. eta vs tors. theta energy: -208.443 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 325 Temperature: 0.950000 Total energy: -2190.143416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2190.143416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2190.143416 (E_RNA) where: Base-Base interactions energy: -1490.949 where: short stacking energy: -636.045 Base-Backbone interact. energy: -1.997 local terms energy: -697.198042 where: bonds (distance) C4'-P energy: -118.897 bonds (distance) P-C4' energy: -129.954 flat angles C4'-P-C4' energy: -159.081 flat angles P-C4'-P energy: -93.050 tors. eta vs tors. theta energy: -196.217 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 325 Temperature: 1.000000 Total energy: -2137.575786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2137.575786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2137.575786 (E_RNA) where: Base-Base interactions energy: -1472.455 where: short stacking energy: -593.027 Base-Backbone interact. energy: -7.750 local terms energy: -657.370831 where: bonds (distance) C4'-P energy: -115.942 bonds (distance) P-C4' energy: -128.119 flat angles C4'-P-C4' energy: -146.479 flat angles P-C4'-P energy: -92.650 tors. eta vs tors. theta energy: -174.180 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: 6 ===================================== Write number: 325 Temperature: 1.050000 Total energy: -2068.044226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2068.044226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2068.044226 (E_RNA) where: Base-Base interactions energy: -1414.569 where: short stacking energy: -582.211 Base-Backbone interact. energy: -1.263 local terms energy: -652.212528 where: bonds (distance) C4'-P energy: -108.258 bonds (distance) P-C4' energy: -129.497 flat angles C4'-P-C4' energy: -142.642 flat angles P-C4'-P energy: -87.370 tors. eta vs tors. theta energy: -184.446 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: 5, replica: 8 ===================================== Write number: 325 Temperature: 1.100000 Total energy: -1870.880285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1870.880285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1870.880285 (E_RNA) where: Base-Base interactions energy: -1254.276 where: short stacking energy: -516.269 Base-Backbone interact. energy: 0.334 local terms energy: -616.938064 where: bonds (distance) C4'-P energy: -118.161 bonds (distance) P-C4' energy: -123.239 flat angles C4'-P-C4' energy: -134.246 flat angles P-C4'-P energy: -73.224 tors. eta vs tors. theta energy: -168.068 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 325 Temperature: 1.150000 Total energy: -1642.822128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1642.822128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1642.822128 (E_RNA) where: Base-Base interactions energy: -1081.589 where: short stacking energy: -478.170 Base-Backbone interact. energy: -0.421 local terms energy: -560.812197 where: bonds (distance) C4'-P energy: -112.164 bonds (distance) P-C4' energy: -113.795 flat angles C4'-P-C4' energy: -119.407 flat angles P-C4'-P energy: -76.232 tors. eta vs tors. theta energy: -139.215 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 325 Temperature: 1.200000 Total energy: -1104.846560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1104.846560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1104.846560 (E_RNA) where: Base-Base interactions energy: -647.191 where: short stacking energy: -285.041 Base-Backbone interact. energy: -0.397 local terms energy: -457.258561 where: bonds (distance) C4'-P energy: -106.214 bonds (distance) P-C4' energy: -127.557 flat angles C4'-P-C4' energy: -107.003 flat angles P-C4'-P energy: -70.921 tors. eta vs tors. theta energy: -45.563 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: 3 ===================================== Write number: 325 Temperature: 1.250000 Total energy: -858.938616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -858.938616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -858.938616 (E_RNA) where: Base-Base interactions energy: -419.571 where: short stacking energy: -218.002 Base-Backbone interact. energy: -0.918 local terms energy: -438.450587 where: bonds (distance) C4'-P energy: -100.844 bonds (distance) P-C4' energy: -122.728 flat angles C4'-P-C4' energy: -123.239 flat angles P-C4'-P energy: -74.778 tors. eta vs tors. theta energy: -16.861 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 325 Temperature: 1.300000 Total energy: -707.009368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -707.009368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -707.009368 (E_RNA) where: Base-Base interactions energy: -329.536 where: short stacking energy: -197.202 Base-Backbone interact. energy: -3.626 local terms energy: -373.846612 where: bonds (distance) C4'-P energy: -114.491 bonds (distance) P-C4' energy: -108.010 flat angles C4'-P-C4' energy: -90.452 flat angles P-C4'-P energy: -59.423 tors. eta vs tors. theta energy: -1.471 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: 10, replica: 4 ===================================== Write number: 325 Temperature: 1.350000 Total energy: -504.727804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -504.727804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -504.727804 (E_RNA) where: Base-Base interactions energy: -129.108 where: short stacking energy: -111.659 Base-Backbone interact. energy: 2.738 local terms energy: -378.357897 where: bonds (distance) C4'-P energy: -124.529 bonds (distance) P-C4' energy: -119.174 flat angles C4'-P-C4' energy: -112.022 flat angles P-C4'-P energy: -47.723 tors. eta vs tors. theta energy: 25.091 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 326 Temperature: 0.900000 Total energy: -2224.849566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2224.849566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2224.849566 (E_RNA) where: Base-Base interactions energy: -1507.900 where: short stacking energy: -628.454 Base-Backbone interact. energy: -0.222 local terms energy: -716.728084 where: bonds (distance) C4'-P energy: -131.263 bonds (distance) P-C4' energy: -131.130 flat angles C4'-P-C4' energy: -149.392 flat angles P-C4'-P energy: -102.187 tors. eta vs tors. theta energy: -202.757 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 326 Temperature: 0.950000 Total energy: -2203.777843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2203.777843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2203.777843 (E_RNA) where: Base-Base interactions energy: -1493.114 where: short stacking energy: -608.836 Base-Backbone interact. energy: -0.660 local terms energy: -710.003708 where: bonds (distance) C4'-P energy: -129.823 bonds (distance) P-C4' energy: -142.057 flat angles C4'-P-C4' energy: -134.362 flat angles P-C4'-P energy: -104.772 tors. eta vs tors. theta energy: -198.989 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: 3, replica: 5 ===================================== Write number: 326 Temperature: 1.000000 Total energy: -2134.761953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2134.761953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2134.761953 (E_RNA) where: Base-Base interactions energy: -1463.369 where: short stacking energy: -576.061 Base-Backbone interact. energy: 3.330 local terms energy: -674.723417 where: bonds (distance) C4'-P energy: -125.449 bonds (distance) P-C4' energy: -129.737 flat angles C4'-P-C4' energy: -147.843 flat angles P-C4'-P energy: -93.391 tors. eta vs tors. theta energy: -178.304 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 326 Temperature: 1.050000 Total energy: -2048.175165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2048.175165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2048.175165 (E_RNA) where: Base-Base interactions energy: -1358.507 where: short stacking energy: -568.785 Base-Backbone interact. energy: -3.236 local terms energy: -686.432468 where: bonds (distance) C4'-P energy: -110.984 bonds (distance) P-C4' energy: -126.150 flat angles C4'-P-C4' energy: -153.885 flat angles P-C4'-P energy: -109.089 tors. eta vs tors. theta energy: -186.324 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: 8 ===================================== Write number: 326 Temperature: 1.100000 Total energy: -1911.060764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1911.060764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1911.060764 (E_RNA) where: Base-Base interactions energy: -1278.177 where: short stacking energy: -534.694 Base-Backbone interact. energy: 2.992 local terms energy: -635.876113 where: bonds (distance) C4'-P energy: -109.893 bonds (distance) P-C4' energy: -123.279 flat angles C4'-P-C4' energy: -143.790 flat angles P-C4'-P energy: -79.032 tors. eta vs tors. theta energy: -179.882 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: 10 ===================================== Write number: 326 Temperature: 1.150000 Total energy: -1625.163964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1625.163964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1625.163964 (E_RNA) where: Base-Base interactions energy: -1075.323 where: short stacking energy: -481.817 Base-Backbone interact. energy: -3.472 local terms energy: -546.369053 where: bonds (distance) C4'-P energy: -102.734 bonds (distance) P-C4' energy: -106.521 flat angles C4'-P-C4' energy: -136.212 flat angles P-C4'-P energy: -66.674 tors. eta vs tors. theta energy: -134.228 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 326 Temperature: 1.200000 Total energy: -1112.823869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1112.823869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1112.823869 (E_RNA) where: Base-Base interactions energy: -665.027 where: short stacking energy: -301.789 Base-Backbone interact. energy: -1.707 local terms energy: -446.089969 where: bonds (distance) C4'-P energy: -109.242 bonds (distance) P-C4' energy: -112.484 flat angles C4'-P-C4' energy: -102.688 flat angles P-C4'-P energy: -84.376 tors. eta vs tors. theta energy: -37.300 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 326 Temperature: 1.250000 Total energy: -878.416133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -878.416133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -878.416133 (E_RNA) where: Base-Base interactions energy: -446.452 where: short stacking energy: -234.979 Base-Backbone interact. energy: -2.426 local terms energy: -429.537902 where: bonds (distance) C4'-P energy: -103.485 bonds (distance) P-C4' energy: -116.838 flat angles C4'-P-C4' energy: -100.631 flat angles P-C4'-P energy: -76.798 tors. eta vs tors. theta energy: -31.786 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 326 Temperature: 1.300000 Total energy: -673.177009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -673.177009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -673.177009 (E_RNA) where: Base-Base interactions energy: -308.105 where: short stacking energy: -196.770 Base-Backbone interact. energy: 8.397 local terms energy: -373.468485 where: bonds (distance) C4'-P energy: -109.755 bonds (distance) P-C4' energy: -120.196 flat angles C4'-P-C4' energy: -91.032 flat angles P-C4'-P energy: -66.953 tors. eta vs tors. theta energy: 14.468 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: 10, replica: 4 ===================================== Write number: 326 Temperature: 1.350000 Total energy: -482.001020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -482.001020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -482.001020 (E_RNA) where: Base-Base interactions energy: -146.432 where: short stacking energy: -128.235 Base-Backbone interact. energy: -2.803 local terms energy: -332.765849 where: bonds (distance) C4'-P energy: -90.266 bonds (distance) P-C4' energy: -105.987 flat angles C4'-P-C4' energy: -99.784 flat angles P-C4'-P energy: -57.064 tors. eta vs tors. theta energy: 20.335 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 327 Temperature: 0.900000 Total energy: -2247.347340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2247.347340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2247.347340 (E_RNA) where: Base-Base interactions energy: -1509.641 where: short stacking energy: -659.838 Base-Backbone interact. energy: -4.620 local terms energy: -733.086418 where: bonds (distance) C4'-P energy: -130.251 bonds (distance) P-C4' energy: -140.481 flat angles C4'-P-C4' energy: -160.332 flat angles P-C4'-P energy: -88.737 tors. eta vs tors. theta energy: -213.286 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: 5 ===================================== Write number: 327 Temperature: 0.950000 Total energy: -2189.169985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2189.169985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2189.169985 (E_RNA) where: Base-Base interactions energy: -1504.180 where: short stacking energy: -618.576 Base-Backbone interact. energy: -4.239 local terms energy: -680.750646 where: bonds (distance) C4'-P energy: -135.136 bonds (distance) P-C4' energy: -117.456 flat angles C4'-P-C4' energy: -143.332 flat angles P-C4'-P energy: -98.485 tors. eta vs tors. theta energy: -186.342 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 327 Temperature: 1.000000 Total energy: -2157.634857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2157.634857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2157.634857 (E_RNA) where: Base-Base interactions energy: -1468.825 where: short stacking energy: -590.686 Base-Backbone interact. energy: -3.014 local terms energy: -685.795765 where: bonds (distance) C4'-P energy: -131.511 bonds (distance) P-C4' energy: -121.043 flat angles C4'-P-C4' energy: -152.890 flat angles P-C4'-P energy: -95.174 tors. eta vs tors. theta energy: -185.178 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 327 Temperature: 1.050000 Total energy: -2027.046397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2027.046397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2027.046397 (E_RNA) where: Base-Base interactions energy: -1367.331 where: short stacking energy: -560.461 Base-Backbone interact. energy: -1.807 local terms energy: -657.908295 where: bonds (distance) C4'-P energy: -124.467 bonds (distance) P-C4' energy: -118.104 flat angles C4'-P-C4' energy: -136.409 flat angles P-C4'-P energy: -96.393 tors. eta vs tors. theta energy: -182.535 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: 8 ===================================== Write number: 327 Temperature: 1.100000 Total energy: -1868.034553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1868.034553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1868.034553 (E_RNA) where: Base-Base interactions energy: -1256.804 where: short stacking energy: -518.252 Base-Backbone interact. energy: -2.808 local terms energy: -608.422718 where: bonds (distance) C4'-P energy: -106.209 bonds (distance) P-C4' energy: -117.804 flat angles C4'-P-C4' energy: -128.557 flat angles P-C4'-P energy: -87.445 tors. eta vs tors. theta energy: -168.408 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: 10 ===================================== Write number: 327 Temperature: 1.150000 Total energy: -1619.308845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1619.308845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1619.308845 (E_RNA) where: Base-Base interactions energy: -1072.563 where: short stacking energy: -460.788 Base-Backbone interact. energy: -1.993 local terms energy: -544.752675 where: bonds (distance) C4'-P energy: -120.671 bonds (distance) P-C4' energy: -114.227 flat angles C4'-P-C4' energy: -112.707 flat angles P-C4'-P energy: -69.182 tors. eta vs tors. theta energy: -127.965 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 327 Temperature: 1.200000 Total energy: -1152.512362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1152.512362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1152.512362 (E_RNA) where: Base-Base interactions energy: -722.690 where: short stacking energy: -306.734 Base-Backbone interact. energy: 0.647 local terms energy: -430.469348 where: bonds (distance) C4'-P energy: -86.580 bonds (distance) P-C4' energy: -105.646 flat angles C4'-P-C4' energy: -103.801 flat angles P-C4'-P energy: -64.539 tors. eta vs tors. theta energy: -69.904 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 327 Temperature: 1.250000 Total energy: -897.916091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -897.916091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -897.916091 (E_RNA) where: Base-Base interactions energy: -454.440 where: short stacking energy: -228.883 Base-Backbone interact. energy: 4.314 local terms energy: -447.789592 where: bonds (distance) C4'-P energy: -130.636 bonds (distance) P-C4' energy: -117.632 flat angles C4'-P-C4' energy: -107.175 flat angles P-C4'-P energy: -74.613 tors. eta vs tors. theta energy: -17.733 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 327 Temperature: 1.300000 Total energy: -674.186208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -674.186208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -674.186208 (E_RNA) where: Base-Base interactions energy: -310.990 where: short stacking energy: -194.244 Base-Backbone interact. energy: -3.086 local terms energy: -360.109657 where: bonds (distance) C4'-P energy: -86.036 bonds (distance) P-C4' energy: -120.460 flat angles C4'-P-C4' energy: -89.779 flat angles P-C4'-P energy: -52.045 tors. eta vs tors. theta energy: -11.789 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: 4 ===================================== Write number: 327 Temperature: 1.350000 Total energy: -512.266655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -512.266655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -512.266655 (E_RNA) where: Base-Base interactions energy: -176.865 where: short stacking energy: -117.252 Base-Backbone interact. energy: -0.696 local terms energy: -334.705883 where: bonds (distance) C4'-P energy: -124.880 bonds (distance) P-C4' energy: -121.474 flat angles C4'-P-C4' energy: -70.900 flat angles P-C4'-P energy: -61.458 tors. eta vs tors. theta energy: 44.006 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: 2 ===================================== Write number: 328 Temperature: 0.900000 Total energy: -2257.567170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2257.567170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2257.567170 (E_RNA) where: Base-Base interactions energy: -1513.072 where: short stacking energy: -622.887 Base-Backbone interact. energy: 0.806 local terms energy: -745.300644 where: bonds (distance) C4'-P energy: -144.902 bonds (distance) P-C4' energy: -136.215 flat angles C4'-P-C4' energy: -147.472 flat angles P-C4'-P energy: -112.781 tors. eta vs tors. theta energy: -203.931 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: 5 ===================================== Write number: 328 Temperature: 0.950000 Total energy: -2204.827660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2204.827660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2204.827660 (E_RNA) where: Base-Base interactions energy: -1514.686 where: short stacking energy: -592.493 Base-Backbone interact. energy: -3.555 local terms energy: -686.586736 where: bonds (distance) C4'-P energy: -132.797 bonds (distance) P-C4' energy: -133.205 flat angles C4'-P-C4' energy: -141.623 flat angles P-C4'-P energy: -92.147 tors. eta vs tors. theta energy: -186.815 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: 7 ===================================== Write number: 328 Temperature: 1.000000 Total energy: -2162.347256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2162.347256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2162.347256 (E_RNA) where: Base-Base interactions energy: -1492.520 where: short stacking energy: -609.933 Base-Backbone interact. energy: -5.059 local terms energy: -664.768199 where: bonds (distance) C4'-P energy: -119.477 bonds (distance) P-C4' energy: -114.999 flat angles C4'-P-C4' energy: -138.019 flat angles P-C4'-P energy: -87.109 tors. eta vs tors. theta energy: -205.164 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: 4, replica: 6 ===================================== Write number: 328 Temperature: 1.050000 Total energy: -2025.184803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2025.184803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2025.184803 (E_RNA) where: Base-Base interactions energy: -1389.689 where: short stacking energy: -583.067 Base-Backbone interact. energy: 0.297 local terms energy: -635.792888 where: bonds (distance) C4'-P energy: -118.098 bonds (distance) P-C4' energy: -109.980 flat angles C4'-P-C4' energy: -128.570 flat angles P-C4'-P energy: -88.555 tors. eta vs tors. theta energy: -190.590 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: 8 ===================================== Write number: 328 Temperature: 1.100000 Total energy: -1873.414842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1873.414842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1873.414842 (E_RNA) where: Base-Base interactions energy: -1266.844 where: short stacking energy: -507.995 Base-Backbone interact. energy: -2.973 local terms energy: -603.598064 where: bonds (distance) C4'-P energy: -99.344 bonds (distance) P-C4' energy: -122.124 flat angles C4'-P-C4' energy: -134.942 flat angles P-C4'-P energy: -77.465 tors. eta vs tors. theta energy: -169.724 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: 10 ===================================== Write number: 328 Temperature: 1.150000 Total energy: -1633.422530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1633.422530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1633.422530 (E_RNA) where: Base-Base interactions energy: -1024.976 where: short stacking energy: -472.559 Base-Backbone interact. energy: -0.506 local terms energy: -607.940880 where: bonds (distance) C4'-P energy: -127.311 bonds (distance) P-C4' energy: -125.685 flat angles C4'-P-C4' energy: -136.410 flat angles P-C4'-P energy: -87.002 tors. eta vs tors. theta energy: -131.533 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: 1 ===================================== Write number: 328 Temperature: 1.200000 Total energy: -1119.757141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1119.757141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1119.757141 (E_RNA) where: Base-Base interactions energy: -688.789 where: short stacking energy: -332.363 Base-Backbone interact. energy: 4.987 local terms energy: -435.955071 where: bonds (distance) C4'-P energy: -89.492 bonds (distance) P-C4' energy: -115.578 flat angles C4'-P-C4' energy: -110.174 flat angles P-C4'-P energy: -60.537 tors. eta vs tors. theta energy: -60.173 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 328 Temperature: 1.250000 Total energy: -841.797998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -841.797998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -841.797998 (E_RNA) where: Base-Base interactions energy: -448.023 where: short stacking energy: -244.573 Base-Backbone interact. energy: -0.579 local terms energy: -393.196619 where: bonds (distance) C4'-P energy: -92.846 bonds (distance) P-C4' energy: -117.717 flat angles C4'-P-C4' energy: -109.013 flat angles P-C4'-P energy: -46.403 tors. eta vs tors. theta energy: -27.217 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: 9 ===================================== Write number: 328 Temperature: 1.300000 Total energy: -642.830246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -642.830246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -642.830246 (E_RNA) where: Base-Base interactions energy: -276.519 where: short stacking energy: -149.642 Base-Backbone interact. energy: -1.570 local terms energy: -364.741399 where: bonds (distance) C4'-P energy: -114.708 bonds (distance) P-C4' energy: -104.747 flat angles C4'-P-C4' energy: -92.079 flat angles P-C4'-P energy: -66.862 tors. eta vs tors. theta energy: 13.655 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 328 Temperature: 1.350000 Total energy: -485.181315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -485.181315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -485.181315 (E_RNA) where: Base-Base interactions energy: -163.905 where: short stacking energy: -132.228 Base-Backbone interact. energy: 9.940 local terms energy: -331.216555 where: bonds (distance) C4'-P energy: -99.577 bonds (distance) P-C4' energy: -114.378 flat angles C4'-P-C4' energy: -100.139 flat angles P-C4'-P energy: -53.459 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: 1, replica: 2 ===================================== Write number: 329 Temperature: 0.900000 Total energy: -2255.277832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2255.277832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2255.277832 (E_RNA) where: Base-Base interactions energy: -1533.475 where: short stacking energy: -651.095 Base-Backbone interact. energy: -1.998 local terms energy: -719.805579 where: bonds (distance) C4'-P energy: -126.137 bonds (distance) P-C4' energy: -139.599 flat angles C4'-P-C4' energy: -160.099 flat angles P-C4'-P energy: -96.450 tors. eta vs tors. theta energy: -197.520 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 329 Temperature: 0.950000 Total energy: -2168.808413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2168.808413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2168.808413 (E_RNA) where: Base-Base interactions energy: -1477.509 where: short stacking energy: -624.300 Base-Backbone interact. energy: 2.134 local terms energy: -693.433235 where: bonds (distance) C4'-P energy: -127.230 bonds (distance) P-C4' energy: -125.626 flat angles C4'-P-C4' energy: -145.773 flat angles P-C4'-P energy: -96.904 tors. eta vs tors. theta energy: -197.901 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: 5 ===================================== Write number: 329 Temperature: 1.000000 Total energy: -2118.203260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2118.203260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2118.203260 (E_RNA) where: Base-Base interactions energy: -1470.814 where: short stacking energy: -601.434 Base-Backbone interact. energy: -3.784 local terms energy: -643.605536 where: bonds (distance) C4'-P energy: -125.624 bonds (distance) P-C4' energy: -109.971 flat angles C4'-P-C4' energy: -147.059 flat angles P-C4'-P energy: -81.023 tors. eta vs tors. theta energy: -179.928 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: 6 ===================================== Write number: 329 Temperature: 1.050000 Total energy: -2064.561810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2064.561810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2064.561810 (E_RNA) where: Base-Base interactions energy: -1398.411 where: short stacking energy: -597.546 Base-Backbone interact. energy: 0.563 local terms energy: -666.714189 where: bonds (distance) C4'-P energy: -128.043 bonds (distance) P-C4' energy: -132.286 flat angles C4'-P-C4' energy: -136.927 flat angles P-C4'-P energy: -87.599 tors. eta vs tors. theta energy: -181.861 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: 329 Temperature: 1.100000 Total energy: -1923.001372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1923.001372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1923.001372 (E_RNA) where: Base-Base interactions energy: -1267.930 where: short stacking energy: -520.920 Base-Backbone interact. energy: 0.004 local terms energy: -655.075379 where: bonds (distance) C4'-P energy: -124.634 bonds (distance) P-C4' energy: -138.686 flat angles C4'-P-C4' energy: -135.452 flat angles P-C4'-P energy: -80.453 tors. eta vs tors. theta energy: -175.851 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 329 Temperature: 1.150000 Total energy: -1614.092443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1614.092443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1614.092443 (E_RNA) where: Base-Base interactions energy: -1058.045 where: short stacking energy: -447.223 Base-Backbone interact. energy: -1.740 local terms energy: -554.308022 where: bonds (distance) C4'-P energy: -107.505 bonds (distance) P-C4' energy: -110.041 flat angles C4'-P-C4' energy: -130.805 flat angles P-C4'-P energy: -73.949 tors. eta vs tors. theta energy: -132.008 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: 1 ===================================== Write number: 329 Temperature: 1.200000 Total energy: -1193.525042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1193.525042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1193.525042 (E_RNA) where: Base-Base interactions energy: -719.141 where: short stacking energy: -325.025 Base-Backbone interact. energy: -1.475 local terms energy: -472.909480 where: bonds (distance) C4'-P energy: -109.503 bonds (distance) P-C4' energy: -131.616 flat angles C4'-P-C4' energy: -114.423 flat angles P-C4'-P energy: -61.930 tors. eta vs tors. theta energy: -55.437 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: 3 ===================================== Write number: 329 Temperature: 1.250000 Total energy: -855.758306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -855.758306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -855.758306 (E_RNA) where: Base-Base interactions energy: -438.124 where: short stacking energy: -225.345 Base-Backbone interact. energy: -3.667 local terms energy: -413.967540 where: bonds (distance) C4'-P energy: -118.832 bonds (distance) P-C4' energy: -128.387 flat angles C4'-P-C4' energy: -83.416 flat angles P-C4'-P energy: -63.722 tors. eta vs tors. theta energy: -19.610 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: 9 ===================================== Write number: 329 Temperature: 1.300000 Total energy: -661.053547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -661.053547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -661.053547 (E_RNA) where: Base-Base interactions energy: -271.940 where: short stacking energy: -166.237 Base-Backbone interact. energy: 1.774 local terms energy: -390.887528 where: bonds (distance) C4'-P energy: -127.406 bonds (distance) P-C4' energy: -125.070 flat angles C4'-P-C4' energy: -91.807 flat angles P-C4'-P energy: -50.748 tors. eta vs tors. theta energy: 4.143 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 329 Temperature: 1.350000 Total energy: -479.370820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -479.370820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -479.370820 (E_RNA) where: Base-Base interactions energy: -182.255 where: short stacking energy: -118.857 Base-Backbone interact. energy: 6.179 local terms energy: -303.294677 where: bonds (distance) C4'-P energy: -117.231 bonds (distance) P-C4' energy: -101.843 flat angles C4'-P-C4' energy: -92.741 flat angles P-C4'-P energy: -48.184 tors. eta vs tors. theta energy: 56.704 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 330 Temperature: 0.900000 Total energy: -2243.021008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2243.021008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2243.021008 (E_RNA) where: Base-Base interactions energy: -1524.436 where: short stacking energy: -623.174 Base-Backbone interact. energy: -1.836 local terms energy: -716.748812 where: bonds (distance) C4'-P energy: -136.262 bonds (distance) P-C4' energy: -133.615 flat angles C4'-P-C4' energy: -160.918 flat angles P-C4'-P energy: -91.163 tors. eta vs tors. theta energy: -194.791 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: 7 ===================================== Write number: 330 Temperature: 0.950000 Total energy: -2186.664747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2186.664747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2186.664747 (E_RNA) where: Base-Base interactions energy: -1489.523 where: short stacking energy: -603.503 Base-Backbone interact. energy: -1.002 local terms energy: -696.139967 where: bonds (distance) C4'-P energy: -113.844 bonds (distance) P-C4' energy: -133.748 flat angles C4'-P-C4' energy: -146.438 flat angles P-C4'-P energy: -98.353 tors. eta vs tors. theta energy: -203.757 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 330 Temperature: 1.000000 Total energy: -2156.053547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2156.053547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2156.053547 (E_RNA) where: Base-Base interactions energy: -1502.503 where: short stacking energy: -616.998 Base-Backbone interact. energy: -4.339 local terms energy: -649.211896 where: bonds (distance) C4'-P energy: -126.075 bonds (distance) P-C4' energy: -117.267 flat angles C4'-P-C4' energy: -143.038 flat angles P-C4'-P energy: -84.625 tors. eta vs tors. theta energy: -178.208 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 330 Temperature: 1.050000 Total energy: -2025.461322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2025.461322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2025.461322 (E_RNA) where: Base-Base interactions energy: -1365.282 where: short stacking energy: -583.710 Base-Backbone interact. energy: -2.597 local terms energy: -657.582085 where: bonds (distance) C4'-P energy: -127.407 bonds (distance) P-C4' energy: -110.517 flat angles C4'-P-C4' energy: -140.755 flat angles P-C4'-P energy: -94.661 tors. eta vs tors. theta energy: -184.242 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: 5, replica: 8 ===================================== Write number: 330 Temperature: 1.100000 Total energy: -1931.112008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1931.112008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1931.112008 (E_RNA) where: Base-Base interactions energy: -1290.225 where: short stacking energy: -563.249 Base-Backbone interact. energy: -1.176 local terms energy: -639.711113 where: bonds (distance) C4'-P energy: -116.185 bonds (distance) P-C4' energy: -125.025 flat angles C4'-P-C4' energy: -130.849 flat angles P-C4'-P energy: -88.309 tors. eta vs tors. theta energy: -179.344 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: 10 ===================================== Write number: 330 Temperature: 1.150000 Total energy: -1607.657438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1607.657438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1607.657438 (E_RNA) where: Base-Base interactions energy: -1038.680 where: short stacking energy: -441.685 Base-Backbone interact. energy: 1.876 local terms energy: -570.853314 where: bonds (distance) C4'-P energy: -105.160 bonds (distance) P-C4' energy: -127.625 flat angles C4'-P-C4' energy: -119.644 flat angles P-C4'-P energy: -89.061 tors. eta vs tors. theta energy: -129.363 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 330 Temperature: 1.200000 Total energy: -1157.132095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1157.132095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1157.132095 (E_RNA) where: Base-Base interactions energy: -693.351 where: short stacking energy: -326.214 Base-Backbone interact. energy: 12.850 local terms energy: -476.631277 where: bonds (distance) C4'-P energy: -100.810 bonds (distance) P-C4' energy: -128.254 flat angles C4'-P-C4' energy: -104.650 flat angles P-C4'-P energy: -77.537 tors. eta vs tors. theta energy: -65.379 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: 8, replica: 3 ===================================== Write number: 330 Temperature: 1.250000 Total energy: -922.780254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -922.780254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -922.780254 (E_RNA) where: Base-Base interactions energy: -511.312 where: short stacking energy: -238.708 Base-Backbone interact. energy: -4.069 local terms energy: -407.398815 where: bonds (distance) C4'-P energy: -102.748 bonds (distance) P-C4' energy: -120.342 flat angles C4'-P-C4' energy: -103.334 flat angles P-C4'-P energy: -50.807 tors. eta vs tors. theta energy: -30.168 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: 9 ===================================== Write number: 330 Temperature: 1.300000 Total energy: -647.497795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -647.497795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -647.497795 (E_RNA) where: Base-Base interactions energy: -280.134 where: short stacking energy: -166.369 Base-Backbone interact. energy: 0.305 local terms energy: -367.668845 where: bonds (distance) C4'-P energy: -112.566 bonds (distance) P-C4' energy: -125.260 flat angles C4'-P-C4' energy: -76.112 flat angles P-C4'-P energy: -62.955 tors. eta vs tors. theta energy: 9.224 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: 10, replica: 4 ===================================== Write number: 330 Temperature: 1.350000 Total energy: -495.828884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -495.828884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -495.828884 (E_RNA) where: Base-Base interactions energy: -184.847 where: short stacking energy: -125.953 Base-Backbone interact. energy: -3.569 local terms energy: -307.413294 where: bonds (distance) C4'-P energy: -112.803 bonds (distance) P-C4' energy: -99.628 flat angles C4'-P-C4' energy: -85.532 flat angles P-C4'-P energy: -43.587 tors. eta vs tors. theta energy: 34.136 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 331 Temperature: 0.900000 Total energy: -2255.111619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2255.111619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2255.111619 (E_RNA) where: Base-Base interactions energy: -1525.738 where: short stacking energy: -632.303 Base-Backbone interact. energy: -1.236 local terms energy: -728.137478 where: bonds (distance) C4'-P energy: -124.245 bonds (distance) P-C4' energy: -138.503 flat angles C4'-P-C4' energy: -161.397 flat angles P-C4'-P energy: -99.871 tors. eta vs tors. theta energy: -204.123 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 331 Temperature: 0.950000 Total energy: -2182.493989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2182.493989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2182.493989 (E_RNA) where: Base-Base interactions energy: -1486.684 where: short stacking energy: -625.286 Base-Backbone interact. energy: -3.476 local terms energy: -692.334175 where: bonds (distance) C4'-P energy: -112.096 bonds (distance) P-C4' energy: -131.482 flat angles C4'-P-C4' energy: -151.784 flat angles P-C4'-P energy: -103.616 tors. eta vs tors. theta energy: -193.355 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 331 Temperature: 1.000000 Total energy: -2111.108300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2111.108300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2111.108300 (E_RNA) where: Base-Base interactions energy: -1417.930 where: short stacking energy: -568.818 Base-Backbone interact. energy: -2.783 local terms energy: -690.396129 where: bonds (distance) C4'-P energy: -124.323 bonds (distance) P-C4' energy: -136.058 flat angles C4'-P-C4' energy: -147.210 flat angles P-C4'-P energy: -98.503 tors. eta vs tors. theta energy: -184.302 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: 6 ===================================== Write number: 331 Temperature: 1.050000 Total energy: -2049.451043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2049.451043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2049.451043 (E_RNA) where: Base-Base interactions energy: -1392.205 where: short stacking energy: -608.728 Base-Backbone interact. energy: -1.989 local terms energy: -655.256637 where: bonds (distance) C4'-P energy: -114.931 bonds (distance) P-C4' energy: -110.364 flat angles C4'-P-C4' energy: -143.147 flat angles P-C4'-P energy: -94.715 tors. eta vs tors. theta energy: -192.100 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 331 Temperature: 1.100000 Total energy: -1915.979194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1915.979194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1915.979194 (E_RNA) where: Base-Base interactions energy: -1266.553 where: short stacking energy: -554.202 Base-Backbone interact. energy: -3.061 local terms energy: -646.365533 where: bonds (distance) C4'-P energy: -109.747 bonds (distance) P-C4' energy: -123.001 flat angles C4'-P-C4' energy: -146.381 flat angles P-C4'-P energy: -98.409 tors. eta vs tors. theta energy: -168.826 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 331 Temperature: 1.150000 Total energy: -1609.882159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1609.882159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1609.882159 (E_RNA) where: Base-Base interactions energy: -1052.908 where: short stacking energy: -441.065 Base-Backbone interact. energy: 0.566 local terms energy: -557.540143 where: bonds (distance) C4'-P energy: -106.797 bonds (distance) P-C4' energy: -132.923 flat angles C4'-P-C4' energy: -126.249 flat angles P-C4'-P energy: -66.308 tors. eta vs tors. theta energy: -125.263 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 331 Temperature: 1.200000 Total energy: -1168.257153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1168.257153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1168.257153 (E_RNA) where: Base-Base interactions energy: -698.295 where: short stacking energy: -328.742 Base-Backbone interact. energy: -1.636 local terms energy: -468.325988 where: bonds (distance) C4'-P energy: -108.289 bonds (distance) P-C4' energy: -126.522 flat angles C4'-P-C4' energy: -98.218 flat angles P-C4'-P energy: -75.635 tors. eta vs tors. theta energy: -59.662 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 331 Temperature: 1.250000 Total energy: -868.807978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -868.807978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -868.807978 (E_RNA) where: Base-Base interactions energy: -455.046 where: short stacking energy: -241.638 Base-Backbone interact. energy: -0.125 local terms energy: -413.637292 where: bonds (distance) C4'-P energy: -98.252 bonds (distance) P-C4' energy: -120.471 flat angles C4'-P-C4' energy: -104.360 flat angles P-C4'-P energy: -69.114 tors. eta vs tors. theta energy: -21.440 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 331 Temperature: 1.300000 Total energy: -628.044098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -628.044098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -628.044098 (E_RNA) where: Base-Base interactions energy: -271.325 where: short stacking energy: -181.365 Base-Backbone interact. energy: -0.835 local terms energy: -355.884637 where: bonds (distance) C4'-P energy: -108.017 bonds (distance) P-C4' energy: -97.076 flat angles C4'-P-C4' energy: -97.557 flat angles P-C4'-P energy: -63.115 tors. eta vs tors. theta energy: 9.881 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 331 Temperature: 1.350000 Total energy: -475.988062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -475.988062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -475.988062 (E_RNA) where: Base-Base interactions energy: -150.858 where: short stacking energy: -125.097 Base-Backbone interact. energy: 7.587 local terms energy: -332.717396 where: bonds (distance) C4'-P energy: -125.084 bonds (distance) P-C4' energy: -98.239 flat angles C4'-P-C4' energy: -88.844 flat angles P-C4'-P energy: -35.475 tors. eta vs tors. theta energy: 14.925 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 332 Temperature: 0.900000 Total energy: -2267.290144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2267.290144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2267.290144 (E_RNA) where: Base-Base interactions energy: -1508.309 where: short stacking energy: -655.149 Base-Backbone interact. energy: -0.429 local terms energy: -758.552327 where: bonds (distance) C4'-P energy: -135.455 bonds (distance) P-C4' energy: -140.866 flat angles C4'-P-C4' energy: -151.970 flat angles P-C4'-P energy: -107.191 tors. eta vs tors. theta energy: -223.070 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: 7 ===================================== Write number: 332 Temperature: 0.950000 Total energy: -2211.640620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2211.640620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2211.640620 (E_RNA) where: Base-Base interactions energy: -1519.968 where: short stacking energy: -618.335 Base-Backbone interact. energy: -3.686 local terms energy: -687.986428 where: bonds (distance) C4'-P energy: -119.353 bonds (distance) P-C4' energy: -125.104 flat angles C4'-P-C4' energy: -152.693 flat angles P-C4'-P energy: -89.706 tors. eta vs tors. theta energy: -201.131 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: 5 ===================================== Write number: 332 Temperature: 1.000000 Total energy: -2114.259667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2114.259667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2114.259667 (E_RNA) where: Base-Base interactions energy: -1424.900 where: short stacking energy: -578.306 Base-Backbone interact. energy: 0.574 local terms energy: -689.933486 where: bonds (distance) C4'-P energy: -135.680 bonds (distance) P-C4' energy: -125.716 flat angles C4'-P-C4' energy: -147.122 flat angles P-C4'-P energy: -95.216 tors. eta vs tors. theta energy: -186.199 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: 6 ===================================== Write number: 332 Temperature: 1.050000 Total energy: -2040.604409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2040.604409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2040.604409 (E_RNA) where: Base-Base interactions energy: -1388.680 where: short stacking energy: -572.541 Base-Backbone interact. energy: -0.408 local terms energy: -651.516239 where: bonds (distance) C4'-P energy: -104.913 bonds (distance) P-C4' energy: -124.820 flat angles C4'-P-C4' energy: -143.910 flat angles P-C4'-P energy: -96.428 tors. eta vs tors. theta energy: -181.446 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: 5, replica: 8 ===================================== Write number: 332 Temperature: 1.100000 Total energy: -1892.920433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1892.920433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1892.920433 (E_RNA) where: Base-Base interactions energy: -1293.836 where: short stacking energy: -538.018 Base-Backbone interact. energy: -0.808 local terms energy: -598.992354 where: bonds (distance) C4'-P energy: -115.305 bonds (distance) P-C4' energy: -111.095 flat angles C4'-P-C4' energy: -130.920 flat angles P-C4'-P energy: -70.086 tors. eta vs tors. theta energy: -171.585 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.716 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 332 Temperature: 1.150000 Total energy: -1506.493203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1506.493203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1506.493203 (E_RNA) where: Base-Base interactions energy: -967.547 where: short stacking energy: -454.627 Base-Backbone interact. energy: -2.270 local terms energy: -536.676321 where: bonds (distance) C4'-P energy: -104.270 bonds (distance) P-C4' energy: -116.219 flat angles C4'-P-C4' energy: -119.352 flat angles P-C4'-P energy: -61.815 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: 7, replica: 1 ===================================== Write number: 332 Temperature: 1.200000 Total energy: -1188.923878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1188.923878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1188.923878 (E_RNA) where: Base-Base interactions energy: -710.049 where: short stacking energy: -319.687 Base-Backbone interact. energy: 1.737 local terms energy: -480.612580 where: bonds (distance) C4'-P energy: -113.857 bonds (distance) P-C4' energy: -114.228 flat angles C4'-P-C4' energy: -112.959 flat angles P-C4'-P energy: -76.321 tors. eta vs tors. theta energy: -63.248 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 332 Temperature: 1.250000 Total energy: -896.940852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -896.940852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -896.940852 (E_RNA) where: Base-Base interactions energy: -487.051 where: short stacking energy: -234.147 Base-Backbone interact. energy: -3.069 local terms energy: -406.820684 where: bonds (distance) C4'-P energy: -108.370 bonds (distance) P-C4' energy: -133.165 flat angles C4'-P-C4' energy: -97.647 flat angles P-C4'-P energy: -49.339 tors. eta vs tors. theta energy: -18.300 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 332 Temperature: 1.300000 Total energy: -645.207293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -645.207293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -645.207293 (E_RNA) where: Base-Base interactions energy: -272.153 where: short stacking energy: -171.527 Base-Backbone interact. energy: 7.455 local terms energy: -380.509674 where: bonds (distance) C4'-P energy: -102.951 bonds (distance) P-C4' energy: -126.150 flat angles C4'-P-C4' energy: -90.352 flat angles P-C4'-P energy: -66.486 tors. eta vs tors. theta energy: 5.430 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 332 Temperature: 1.350000 Total energy: -495.168316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -495.168316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -495.168316 (E_RNA) where: Base-Base interactions energy: -182.784 where: short stacking energy: -124.479 Base-Backbone interact. energy: 1.389 local terms energy: -313.774019 where: bonds (distance) C4'-P energy: -109.614 bonds (distance) P-C4' energy: -108.114 flat angles C4'-P-C4' energy: -80.945 flat angles P-C4'-P energy: -43.090 tors. eta vs tors. theta energy: 27.990 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 333 Temperature: 0.900000 Total energy: -2293.541964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2293.541964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2293.541964 (E_RNA) where: Base-Base interactions energy: -1537.561 where: short stacking energy: -653.304 Base-Backbone interact. energy: -1.707 local terms energy: -754.273892 where: bonds (distance) C4'-P energy: -139.313 bonds (distance) P-C4' energy: -134.724 flat angles C4'-P-C4' energy: -154.567 flat angles P-C4'-P energy: -110.012 tors. eta vs tors. theta energy: -215.657 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 333 Temperature: 0.950000 Total energy: -2189.411843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2189.411843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2189.411843 (E_RNA) where: Base-Base interactions energy: -1497.434 where: short stacking energy: -639.735 Base-Backbone interact. energy: -1.260 local terms energy: -690.718186 where: bonds (distance) C4'-P energy: -133.024 bonds (distance) P-C4' energy: -128.679 flat angles C4'-P-C4' energy: -145.143 flat angles P-C4'-P energy: -82.363 tors. eta vs tors. theta energy: -201.509 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 333 Temperature: 1.000000 Total energy: -2138.065206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2138.065206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2138.065206 (E_RNA) where: Base-Base interactions energy: -1472.775 where: short stacking energy: -592.334 Base-Backbone interact. energy: -3.783 local terms energy: -661.507544 where: bonds (distance) C4'-P energy: -120.860 bonds (distance) P-C4' energy: -116.879 flat angles C4'-P-C4' energy: -148.233 flat angles P-C4'-P energy: -92.659 tors. eta vs tors. theta energy: -182.876 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: 4, replica: 6 ===================================== Write number: 333 Temperature: 1.050000 Total energy: -2009.089944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2009.089944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2009.089944 (E_RNA) where: Base-Base interactions energy: -1363.933 where: short stacking energy: -580.680 Base-Backbone interact. energy: 1.612 local terms energy: -646.769379 where: bonds (distance) C4'-P energy: -108.572 bonds (distance) P-C4' energy: -127.849 flat angles C4'-P-C4' energy: -128.565 flat angles P-C4'-P energy: -103.777 tors. eta vs tors. theta energy: -178.006 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 333 Temperature: 1.100000 Total energy: -1905.927815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1905.927815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1905.927815 (E_RNA) where: Base-Base interactions energy: -1269.624 where: short stacking energy: -561.835 Base-Backbone interact. energy: 0.412 local terms energy: -636.715325 where: bonds (distance) C4'-P energy: -123.522 bonds (distance) P-C4' energy: -123.270 flat angles C4'-P-C4' energy: -139.252 flat angles P-C4'-P energy: -89.904 tors. eta vs tors. theta energy: -160.768 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 333 Temperature: 1.150000 Total energy: -1557.326577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1557.326577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1557.326577 (E_RNA) where: Base-Base interactions energy: -1012.659 where: short stacking energy: -436.419 Base-Backbone interact. energy: -0.508 local terms energy: -544.159900 where: bonds (distance) C4'-P energy: -100.680 bonds (distance) P-C4' energy: -126.863 flat angles C4'-P-C4' energy: -121.874 flat angles P-C4'-P energy: -69.995 tors. eta vs tors. theta energy: -124.748 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: 1 ===================================== Write number: 333 Temperature: 1.200000 Total energy: -1210.486592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1210.486592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1210.486592 (E_RNA) where: Base-Base interactions energy: -757.312 where: short stacking energy: -330.118 Base-Backbone interact. energy: 0.794 local terms energy: -453.968655 where: bonds (distance) C4'-P energy: -116.182 bonds (distance) P-C4' energy: -117.076 flat angles C4'-P-C4' energy: -96.519 flat angles P-C4'-P energy: -70.805 tors. eta vs tors. theta energy: -53.387 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 333 Temperature: 1.250000 Total energy: -892.655291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -892.655291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -892.655291 (E_RNA) where: Base-Base interactions energy: -459.282 where: short stacking energy: -230.510 Base-Backbone interact. energy: -3.416 local terms energy: -429.957985 where: bonds (distance) C4'-P energy: -113.254 bonds (distance) P-C4' energy: -117.826 flat angles C4'-P-C4' energy: -98.510 flat angles P-C4'-P energy: -69.795 tors. eta vs tors. theta energy: -30.572 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: 9 ===================================== Write number: 333 Temperature: 1.300000 Total energy: -631.837871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -631.837871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -631.837871 (E_RNA) where: Base-Base interactions energy: -224.685 where: short stacking energy: -143.521 Base-Backbone interact. energy: -2.080 local terms energy: -405.072432 where: bonds (distance) C4'-P energy: -118.982 bonds (distance) P-C4' energy: -114.159 flat angles C4'-P-C4' energy: -108.021 flat angles P-C4'-P energy: -69.997 tors. eta vs tors. theta energy: 6.087 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 333 Temperature: 1.350000 Total energy: -519.752233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -519.752233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -519.752233 (E_RNA) where: Base-Base interactions energy: -179.543 where: short stacking energy: -126.183 Base-Backbone interact. energy: -0.499 local terms energy: -339.710691 where: bonds (distance) C4'-P energy: -104.445 bonds (distance) P-C4' energy: -115.185 flat angles C4'-P-C4' energy: -104.000 flat angles P-C4'-P energy: -53.712 tors. eta vs tors. theta energy: 37.632 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 334 Temperature: 0.900000 Total energy: -2290.576656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2290.576656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2290.576656 (E_RNA) where: Base-Base interactions energy: -1535.570 where: short stacking energy: -648.227 Base-Backbone interact. energy: -2.095 local terms energy: -752.911546 where: bonds (distance) C4'-P energy: -135.825 bonds (distance) P-C4' energy: -149.439 flat angles C4'-P-C4' energy: -151.377 flat angles P-C4'-P energy: -100.089 tors. eta vs tors. theta energy: -216.181 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 334 Temperature: 0.950000 Total energy: -2186.736501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2186.736501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2186.736501 (E_RNA) where: Base-Base interactions energy: -1474.140 where: short stacking energy: -591.834 Base-Backbone interact. energy: -3.776 local terms energy: -708.819812 where: bonds (distance) C4'-P energy: -143.423 bonds (distance) P-C4' energy: -113.303 flat angles C4'-P-C4' energy: -143.185 flat angles P-C4'-P energy: -109.768 tors. eta vs tors. theta energy: -199.140 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: 5 ===================================== Write number: 334 Temperature: 1.000000 Total energy: -2134.763856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2134.763856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2134.763856 (E_RNA) where: Base-Base interactions energy: -1467.576 where: short stacking energy: -614.123 Base-Backbone interact. energy: 2.320 local terms energy: -669.507899 where: bonds (distance) C4'-P energy: -123.575 bonds (distance) P-C4' energy: -130.544 flat angles C4'-P-C4' energy: -138.338 flat angles P-C4'-P energy: -84.464 tors. eta vs tors. theta energy: -192.587 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 334 Temperature: 1.050000 Total energy: -2054.855294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2054.855294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2054.855294 (E_RNA) where: Base-Base interactions energy: -1379.784 where: short stacking energy: -601.409 Base-Backbone interact. energy: -4.433 local terms energy: -670.638348 where: bonds (distance) C4'-P energy: -119.762 bonds (distance) P-C4' energy: -124.418 flat angles C4'-P-C4' energy: -154.784 flat angles P-C4'-P energy: -90.728 tors. eta vs tors. theta energy: -180.946 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 334 Temperature: 1.100000 Total energy: -1867.971510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1867.971510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1867.971510 (E_RNA) where: Base-Base interactions energy: -1241.838 where: short stacking energy: -504.849 Base-Backbone interact. energy: -0.329 local terms energy: -625.804624 where: bonds (distance) C4'-P energy: -108.090 bonds (distance) P-C4' energy: -111.937 flat angles C4'-P-C4' energy: -141.244 flat angles P-C4'-P energy: -94.731 tors. eta vs tors. theta energy: -169.803 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 334 Temperature: 1.150000 Total energy: -1562.417701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1562.417701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1562.417701 (E_RNA) where: Base-Base interactions energy: -1030.529 where: short stacking energy: -442.206 Base-Backbone interact. energy: 0.593 local terms energy: -532.481579 where: bonds (distance) C4'-P energy: -112.887 bonds (distance) P-C4' energy: -111.460 flat angles C4'-P-C4' energy: -119.111 flat angles P-C4'-P energy: -74.095 tors. eta vs tors. theta energy: -114.929 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: 1 ===================================== Write number: 334 Temperature: 1.200000 Total energy: -1261.600015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1261.600015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1261.600015 (E_RNA) where: Base-Base interactions energy: -791.772 where: short stacking energy: -370.320 Base-Backbone interact. energy: -2.961 local terms energy: -466.867754 where: bonds (distance) C4'-P energy: -107.256 bonds (distance) P-C4' energy: -105.909 flat angles C4'-P-C4' energy: -118.486 flat angles P-C4'-P energy: -64.821 tors. eta vs tors. theta energy: -70.395 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 334 Temperature: 1.250000 Total energy: -914.929663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -914.929663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -914.929663 (E_RNA) where: Base-Base interactions energy: -504.001 where: short stacking energy: -249.512 Base-Backbone interact. energy: -5.403 local terms energy: -405.525696 where: bonds (distance) C4'-P energy: -102.695 bonds (distance) P-C4' energy: -116.381 flat angles C4'-P-C4' energy: -108.306 flat angles P-C4'-P energy: -54.071 tors. eta vs tors. theta energy: -24.072 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 334 Temperature: 1.300000 Total energy: -688.187966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -688.187966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -688.187966 (E_RNA) where: Base-Base interactions energy: -316.336 where: short stacking energy: -186.059 Base-Backbone interact. energy: 2.960 local terms energy: -374.812758 where: bonds (distance) C4'-P energy: -110.217 bonds (distance) P-C4' energy: -107.392 flat angles C4'-P-C4' energy: -102.427 flat angles P-C4'-P energy: -67.703 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: 10, replica: 4 ===================================== Write number: 334 Temperature: 1.350000 Total energy: -487.521691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -487.521691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -487.521691 (E_RNA) where: Base-Base interactions energy: -138.626 where: short stacking energy: -110.697 Base-Backbone interact. energy: -1.142 local terms energy: -347.753274 where: bonds (distance) C4'-P energy: -112.365 bonds (distance) P-C4' energy: -126.890 flat angles C4'-P-C4' energy: -98.169 flat angles P-C4'-P energy: -37.752 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: 1, replica: 2 ===================================== Write number: 335 Temperature: 0.900000 Total energy: -2251.636917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2251.636917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2251.636917 (E_RNA) where: Base-Base interactions energy: -1527.291 where: short stacking energy: -622.703 Base-Backbone interact. energy: -2.235 local terms energy: -722.110725 where: bonds (distance) C4'-P energy: -139.481 bonds (distance) P-C4' energy: -140.940 flat angles C4'-P-C4' energy: -139.860 flat angles P-C4'-P energy: -107.720 tors. eta vs tors. theta energy: -194.110 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: 7 ===================================== Write number: 335 Temperature: 0.950000 Total energy: -2194.837837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2194.837837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2194.837837 (E_RNA) where: Base-Base interactions energy: -1493.028 where: short stacking energy: -611.844 Base-Backbone interact. energy: 0.718 local terms energy: -702.528378 where: bonds (distance) C4'-P energy: -134.248 bonds (distance) P-C4' energy: -133.171 flat angles C4'-P-C4' energy: -150.686 flat angles P-C4'-P energy: -88.181 tors. eta vs tors. theta energy: -196.242 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 335 Temperature: 1.000000 Total energy: -2120.135305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2120.135305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2120.135305 (E_RNA) where: Base-Base interactions energy: -1465.669 where: short stacking energy: -583.063 Base-Backbone interact. energy: 1.419 local terms energy: -655.885755 where: bonds (distance) C4'-P energy: -117.439 bonds (distance) P-C4' energy: -112.651 flat angles C4'-P-C4' energy: -143.035 flat angles P-C4'-P energy: -94.014 tors. eta vs tors. theta energy: -188.747 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: 6 ===================================== Write number: 335 Temperature: 1.050000 Total energy: -1981.432339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1981.432339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1981.432339 (E_RNA) where: Base-Base interactions energy: -1339.470 where: short stacking energy: -597.558 Base-Backbone interact. energy: -2.304 local terms energy: -639.658143 where: bonds (distance) C4'-P energy: -106.217 bonds (distance) P-C4' energy: -128.748 flat angles C4'-P-C4' energy: -145.509 flat angles P-C4'-P energy: -87.196 tors. eta vs tors. theta energy: -171.987 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 335 Temperature: 1.100000 Total energy: -1826.122597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1826.122597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1826.122597 (E_RNA) where: Base-Base interactions energy: -1226.890 where: short stacking energy: -521.554 Base-Backbone interact. energy: -4.512 local terms energy: -594.720419 where: bonds (distance) C4'-P energy: -107.301 bonds (distance) P-C4' energy: -131.781 flat angles C4'-P-C4' energy: -130.508 flat angles P-C4'-P energy: -84.418 tors. eta vs tors. theta energy: -140.712 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 335 Temperature: 1.150000 Total energy: -1522.749165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1522.749165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1522.749165 (E_RNA) where: Base-Base interactions energy: -1010.707 where: short stacking energy: -434.890 Base-Backbone interact. energy: 2.559 local terms energy: -514.600903 where: bonds (distance) C4'-P energy: -100.921 bonds (distance) P-C4' energy: -95.194 flat angles C4'-P-C4' energy: -127.330 flat angles P-C4'-P energy: -76.666 tors. eta vs tors. theta energy: -114.490 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 335 Temperature: 1.200000 Total energy: -1265.581169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1265.581169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1265.581169 (E_RNA) where: Base-Base interactions energy: -771.846 where: short stacking energy: -357.041 Base-Backbone interact. energy: -0.978 local terms energy: -492.757841 where: bonds (distance) C4'-P energy: -107.433 bonds (distance) P-C4' energy: -118.572 flat angles C4'-P-C4' energy: -124.109 flat angles P-C4'-P energy: -68.579 tors. eta vs tors. theta energy: -74.065 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: 3 ===================================== Write number: 335 Temperature: 1.250000 Total energy: -958.586062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -958.586062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -958.586062 (E_RNA) where: Base-Base interactions energy: -523.196 where: short stacking energy: -246.447 Base-Backbone interact. energy: -0.908 local terms energy: -434.482085 where: bonds (distance) C4'-P energy: -119.085 bonds (distance) P-C4' energy: -130.746 flat angles C4'-P-C4' energy: -96.443 flat angles P-C4'-P energy: -60.711 tors. eta vs tors. theta energy: -27.498 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 335 Temperature: 1.300000 Total energy: -656.983018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -656.983018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -656.983018 (E_RNA) where: Base-Base interactions energy: -276.655 where: short stacking energy: -192.097 Base-Backbone interact. energy: 0.028 local terms energy: -380.355495 where: bonds (distance) C4'-P energy: -123.556 bonds (distance) P-C4' energy: -102.114 flat angles C4'-P-C4' energy: -82.656 flat angles P-C4'-P energy: -68.155 tors. eta vs tors. theta energy: -3.874 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 335 Temperature: 1.350000 Total energy: -496.630595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -496.630595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -496.630595 (E_RNA) where: Base-Base interactions energy: -141.345 where: short stacking energy: -119.962 Base-Backbone interact. energy: -0.411 local terms energy: -354.874784 where: bonds (distance) C4'-P energy: -120.267 bonds (distance) P-C4' energy: -119.930 flat angles C4'-P-C4' energy: -95.573 flat angles P-C4'-P energy: -59.960 tors. eta vs tors. theta energy: 40.854 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 336 Temperature: 0.900000 Total energy: -2278.944143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2278.944143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2278.944143 (E_RNA) where: Base-Base interactions energy: -1531.028 where: short stacking energy: -665.629 Base-Backbone interact. energy: -1.420 local terms energy: -746.495597 where: bonds (distance) C4'-P energy: -140.687 bonds (distance) P-C4' energy: -141.943 flat angles C4'-P-C4' energy: -162.378 flat angles P-C4'-P energy: -98.035 tors. eta vs tors. theta energy: -203.452 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 336 Temperature: 0.950000 Total energy: -2196.511978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2196.511978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2196.511978 (E_RNA) where: Base-Base interactions energy: -1476.475 where: short stacking energy: -646.552 Base-Backbone interact. energy: -0.161 local terms energy: -719.875915 where: bonds (distance) C4'-P energy: -129.154 bonds (distance) P-C4' energy: -133.875 flat angles C4'-P-C4' energy: -154.072 flat angles P-C4'-P energy: -102.775 tors. eta vs tors. theta energy: -200.000 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: 5 ===================================== Write number: 336 Temperature: 1.000000 Total energy: -2123.443049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2123.443049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2123.443049 (E_RNA) where: Base-Base interactions energy: -1419.969 where: short stacking energy: -603.119 Base-Backbone interact. energy: 1.415 local terms energy: -704.888599 where: bonds (distance) C4'-P energy: -124.387 bonds (distance) P-C4' energy: -141.149 flat angles C4'-P-C4' energy: -138.255 flat angles P-C4'-P energy: -103.844 tors. eta vs tors. theta energy: -197.253 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: 336 Temperature: 1.050000 Total energy: -1979.481895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1979.481895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1979.481895 (E_RNA) where: Base-Base interactions energy: -1317.390 where: short stacking energy: -557.228 Base-Backbone interact. energy: -1.162 local terms energy: -660.929755 where: bonds (distance) C4'-P energy: -128.841 bonds (distance) P-C4' energy: -128.849 flat angles C4'-P-C4' energy: -130.206 flat angles P-C4'-P energy: -102.388 tors. eta vs tors. theta energy: -170.646 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: 336 Temperature: 1.100000 Total energy: -1926.164142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1926.164142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1926.164142 (E_RNA) where: Base-Base interactions energy: -1282.451 where: short stacking energy: -540.525 Base-Backbone interact. energy: 1.350 local terms energy: -645.062783 where: bonds (distance) C4'-P energy: -139.229 bonds (distance) P-C4' energy: -135.245 flat angles C4'-P-C4' energy: -126.679 flat angles P-C4'-P energy: -77.007 tors. eta vs tors. theta energy: -166.903 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 336 Temperature: 1.150000 Total energy: -1629.090682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1629.090682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1629.090682 (E_RNA) where: Base-Base interactions energy: -1050.152 where: short stacking energy: -478.232 Base-Backbone interact. energy: 0.353 local terms energy: -579.291576 where: bonds (distance) C4'-P energy: -108.774 bonds (distance) P-C4' energy: -114.166 flat angles C4'-P-C4' energy: -126.765 flat angles P-C4'-P energy: -90.562 tors. eta vs tors. theta energy: -139.024 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: 7, replica: 1 ===================================== Write number: 336 Temperature: 1.200000 Total energy: -1241.542630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1241.542630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1241.542630 (E_RNA) where: Base-Base interactions energy: -754.144 where: short stacking energy: -318.197 Base-Backbone interact. energy: -3.356 local terms energy: -484.042396 where: bonds (distance) C4'-P energy: -95.623 bonds (distance) P-C4' energy: -124.294 flat angles C4'-P-C4' energy: -112.592 flat angles P-C4'-P energy: -75.583 tors. eta vs tors. theta energy: -75.950 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 336 Temperature: 1.250000 Total energy: -998.435031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -998.435031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -998.435031 (E_RNA) where: Base-Base interactions energy: -559.042 where: short stacking energy: -277.799 Base-Backbone interact. energy: 3.781 local terms energy: -443.173988 where: bonds (distance) C4'-P energy: -108.901 bonds (distance) P-C4' energy: -124.056 flat angles C4'-P-C4' energy: -117.612 flat angles P-C4'-P energy: -53.358 tors. eta vs tors. theta energy: -39.247 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 336 Temperature: 1.300000 Total energy: -643.421144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -643.421144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -643.421144 (E_RNA) where: Base-Base interactions energy: -267.416 where: short stacking energy: -149.140 Base-Backbone interact. energy: -0.597 local terms energy: -375.407792 where: bonds (distance) C4'-P energy: -106.398 bonds (distance) P-C4' energy: -115.105 flat angles C4'-P-C4' energy: -108.499 flat angles P-C4'-P energy: -50.796 tors. eta vs tors. theta energy: 5.391 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 336 Temperature: 1.350000 Total energy: -485.377859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -485.377859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -485.377859 (E_RNA) where: Base-Base interactions energy: -165.529 where: short stacking energy: -129.980 Base-Backbone interact. energy: -0.822 local terms energy: -319.025969 where: bonds (distance) C4'-P energy: -108.320 bonds (distance) P-C4' energy: -109.575 flat angles C4'-P-C4' energy: -89.112 flat angles P-C4'-P energy: -27.910 tors. eta vs tors. theta energy: 15.892 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 337 Temperature: 0.900000 Total energy: -2281.922700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2281.922700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2281.922700 (E_RNA) where: Base-Base interactions energy: -1552.369 where: short stacking energy: -620.505 Base-Backbone interact. energy: 1.092 local terms energy: -730.645363 where: bonds (distance) C4'-P energy: -142.613 bonds (distance) P-C4' energy: -135.424 flat angles C4'-P-C4' energy: -158.124 flat angles P-C4'-P energy: -95.978 tors. eta vs tors. theta energy: -198.506 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 337 Temperature: 0.950000 Total energy: -2208.924469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2208.924469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2208.924469 (E_RNA) where: Base-Base interactions energy: -1503.991 where: short stacking energy: -625.938 Base-Backbone interact. energy: -2.406 local terms energy: -702.527595 where: bonds (distance) C4'-P energy: -132.783 bonds (distance) P-C4' energy: -133.679 flat angles C4'-P-C4' energy: -149.831 flat angles P-C4'-P energy: -87.308 tors. eta vs tors. theta energy: -198.927 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 337 Temperature: 1.000000 Total energy: -2127.843059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2127.843059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2127.843059 (E_RNA) where: Base-Base interactions energy: -1436.018 where: short stacking energy: -594.947 Base-Backbone interact. energy: 0.724 local terms energy: -692.549471 where: bonds (distance) C4'-P energy: -130.586 bonds (distance) P-C4' energy: -128.947 flat angles C4'-P-C4' energy: -142.162 flat angles P-C4'-P energy: -103.289 tors. eta vs tors. theta energy: -187.566 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: 337 Temperature: 1.050000 Total energy: -1988.001131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1988.001131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1988.001131 (E_RNA) where: Base-Base interactions energy: -1342.395 where: short stacking energy: -565.367 Base-Backbone interact. energy: -0.234 local terms energy: -645.371540 where: bonds (distance) C4'-P energy: -115.824 bonds (distance) P-C4' energy: -119.906 flat angles C4'-P-C4' energy: -133.170 flat angles P-C4'-P energy: -89.670 tors. eta vs tors. theta energy: -186.801 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 337 Temperature: 1.100000 Total energy: -1888.732979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1888.732979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1888.732979 (E_RNA) where: Base-Base interactions energy: -1266.575 where: short stacking energy: -533.383 Base-Backbone interact. energy: -0.264 local terms energy: -621.893820 where: bonds (distance) C4'-P energy: -124.587 bonds (distance) P-C4' energy: -116.031 flat angles C4'-P-C4' energy: -142.560 flat angles P-C4'-P energy: -82.929 tors. eta vs tors. theta energy: -155.787 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 337 Temperature: 1.150000 Total energy: -1636.092743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1636.092743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1636.092743 (E_RNA) where: Base-Base interactions energy: -1045.317 where: short stacking energy: -491.724 Base-Backbone interact. energy: 0.311 local terms energy: -591.086758 where: bonds (distance) C4'-P energy: -114.889 bonds (distance) P-C4' energy: -124.128 flat angles C4'-P-C4' energy: -130.791 flat angles P-C4'-P energy: -72.244 tors. eta vs tors. theta energy: -149.034 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 337 Temperature: 1.200000 Total energy: -1170.157554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1170.157554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1170.157554 (E_RNA) where: Base-Base interactions energy: -679.417 where: short stacking energy: -317.528 Base-Backbone interact. energy: 5.304 local terms energy: -496.474301 where: bonds (distance) C4'-P energy: -123.300 bonds (distance) P-C4' energy: -116.112 flat angles C4'-P-C4' energy: -124.616 flat angles P-C4'-P energy: -68.469 tors. eta vs tors. theta energy: -63.977 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.430 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 337 Temperature: 1.250000 Total energy: -1020.692557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1020.692557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1020.692557 (E_RNA) where: Base-Base interactions energy: -565.553 where: short stacking energy: -269.431 Base-Backbone interact. energy: -0.734 local terms energy: -454.406105 where: bonds (distance) C4'-P energy: -112.186 bonds (distance) P-C4' energy: -116.326 flat angles C4'-P-C4' energy: -87.011 flat angles P-C4'-P energy: -77.715 tors. eta vs tors. theta energy: -61.168 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: 9 ===================================== Write number: 337 Temperature: 1.300000 Total energy: -673.858361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -673.858361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -673.858361 (E_RNA) where: Base-Base interactions energy: -314.927 where: short stacking energy: -162.212 Base-Backbone interact. energy: 1.356 local terms energy: -360.287415 where: bonds (distance) C4'-P energy: -108.987 bonds (distance) P-C4' energy: -106.176 flat angles C4'-P-C4' energy: -91.391 flat angles P-C4'-P energy: -72.352 tors. eta vs tors. theta energy: 18.619 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 337 Temperature: 1.350000 Total energy: -513.250657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -513.250657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -513.250657 (E_RNA) where: Base-Base interactions energy: -194.234 where: short stacking energy: -143.031 Base-Backbone interact. energy: -2.307 local terms energy: -316.709459 where: bonds (distance) C4'-P energy: -96.837 bonds (distance) P-C4' energy: -120.595 flat angles C4'-P-C4' energy: -76.444 flat angles P-C4'-P energy: -39.109 tors. eta vs tors. theta energy: 16.276 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: 2 ===================================== Write number: 338 Temperature: 0.900000 Total energy: -2247.556328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2247.556328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2247.556328 (E_RNA) where: Base-Base interactions energy: -1517.543 where: short stacking energy: -623.196 Base-Backbone interact. energy: -3.516 local terms energy: -726.497068 where: bonds (distance) C4'-P energy: -140.117 bonds (distance) P-C4' energy: -140.724 flat angles C4'-P-C4' energy: -154.438 flat angles P-C4'-P energy: -93.149 tors. eta vs tors. theta energy: -198.069 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 338 Temperature: 0.950000 Total energy: -2197.563191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2197.563191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2197.563191 (E_RNA) where: Base-Base interactions energy: -1492.749 where: short stacking energy: -616.297 Base-Backbone interact. energy: -2.847 local terms energy: -701.967935 where: bonds (distance) C4'-P energy: -123.542 bonds (distance) P-C4' energy: -145.853 flat angles C4'-P-C4' energy: -135.844 flat angles P-C4'-P energy: -99.209 tors. eta vs tors. theta energy: -197.520 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: 5 ===================================== Write number: 338 Temperature: 1.000000 Total energy: -2109.875830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2109.875830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2109.875830 (E_RNA) where: Base-Base interactions energy: -1416.711 where: short stacking energy: -598.259 Base-Backbone interact. energy: -0.935 local terms energy: -692.230491 where: bonds (distance) C4'-P energy: -143.627 bonds (distance) P-C4' energy: -122.948 flat angles C4'-P-C4' energy: -143.410 flat angles P-C4'-P energy: -93.274 tors. eta vs tors. theta energy: -188.972 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: 338 Temperature: 1.050000 Total energy: -1996.732409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1996.732409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1996.732409 (E_RNA) where: Base-Base interactions energy: -1365.263 where: short stacking energy: -587.148 Base-Backbone interact. energy: -2.552 local terms energy: -628.917388 where: bonds (distance) C4'-P energy: -114.176 bonds (distance) P-C4' energy: -129.810 flat angles C4'-P-C4' energy: -132.755 flat angles P-C4'-P energy: -75.362 tors. eta vs tors. theta energy: -176.815 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 338 Temperature: 1.100000 Total energy: -1869.358173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1869.358173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1869.358173 (E_RNA) where: Base-Base interactions energy: -1273.331 where: short stacking energy: -540.233 Base-Backbone interact. energy: -0.810 local terms energy: -595.216601 where: bonds (distance) C4'-P energy: -114.539 bonds (distance) P-C4' energy: -112.349 flat angles C4'-P-C4' energy: -127.420 flat angles P-C4'-P energy: -81.080 tors. eta vs tors. theta energy: -159.829 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 338 Temperature: 1.150000 Total energy: -1552.412168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1552.412168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1552.412168 (E_RNA) where: Base-Base interactions energy: -1018.709 where: short stacking energy: -439.727 Base-Backbone interact. energy: 3.785 local terms energy: -537.487365 where: bonds (distance) C4'-P energy: -108.478 bonds (distance) P-C4' energy: -118.454 flat angles C4'-P-C4' energy: -129.999 flat angles P-C4'-P energy: -78.606 tors. eta vs tors. theta energy: -101.950 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 338 Temperature: 1.200000 Total energy: -1181.034770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1181.034770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1181.034770 (E_RNA) where: Base-Base interactions energy: -718.480 where: short stacking energy: -313.428 Base-Backbone interact. energy: 1.937 local terms energy: -464.492384 where: bonds (distance) C4'-P energy: -99.593 bonds (distance) P-C4' energy: -118.422 flat angles C4'-P-C4' energy: -112.074 flat angles P-C4'-P energy: -76.335 tors. eta vs tors. theta energy: -58.068 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 338 Temperature: 1.250000 Total energy: -984.143356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -984.143356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -984.143356 (E_RNA) where: Base-Base interactions energy: -543.096 where: short stacking energy: -279.745 Base-Backbone interact. energy: -3.086 local terms energy: -437.961722 where: bonds (distance) C4'-P energy: -92.224 bonds (distance) P-C4' energy: -118.228 flat angles C4'-P-C4' energy: -110.963 flat angles P-C4'-P energy: -65.062 tors. eta vs tors. theta energy: -51.485 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 338 Temperature: 1.300000 Total energy: -687.322794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -687.322794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -687.322794 (E_RNA) where: Base-Base interactions energy: -326.195 where: short stacking energy: -204.456 Base-Backbone interact. energy: -2.714 local terms energy: -358.413220 where: bonds (distance) C4'-P energy: -115.702 bonds (distance) P-C4' energy: -101.803 flat angles C4'-P-C4' energy: -103.509 flat angles P-C4'-P energy: -36.921 tors. eta vs tors. theta energy: -0.478 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: 338 Temperature: 1.350000 Total energy: -495.056035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -495.056035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -495.056035 (E_RNA) where: Base-Base interactions energy: -164.795 where: short stacking energy: -139.240 Base-Backbone interact. energy: -0.771 local terms energy: -329.489499 where: bonds (distance) C4'-P energy: -110.109 bonds (distance) P-C4' energy: -104.596 flat angles C4'-P-C4' energy: -75.827 flat angles P-C4'-P energy: -62.398 tors. eta vs tors. theta energy: 23.441 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 339 Temperature: 0.900000 Total energy: -2262.131014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2262.131014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2262.131014 (E_RNA) where: Base-Base interactions energy: -1528.125 where: short stacking energy: -656.175 Base-Backbone interact. energy: -0.341 local terms energy: -733.665024 where: bonds (distance) C4'-P energy: -137.830 bonds (distance) P-C4' energy: -139.404 flat angles C4'-P-C4' energy: -156.125 flat angles P-C4'-P energy: -89.348 tors. eta vs tors. theta energy: -210.958 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 339 Temperature: 0.950000 Total energy: -2176.298322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2176.298322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2176.298322 (E_RNA) where: Base-Base interactions energy: -1503.037 where: short stacking energy: -602.564 Base-Backbone interact. energy: -2.453 local terms energy: -670.807460 where: bonds (distance) C4'-P energy: -120.732 bonds (distance) P-C4' energy: -125.246 flat angles C4'-P-C4' energy: -140.149 flat angles P-C4'-P energy: -96.400 tors. eta vs tors. theta energy: -188.280 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: 5 ===================================== Write number: 339 Temperature: 1.000000 Total energy: -2103.573645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2103.573645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2103.573645 (E_RNA) where: Base-Base interactions energy: -1433.030 where: short stacking energy: -581.451 Base-Backbone interact. energy: -4.002 local terms energy: -666.541888 where: bonds (distance) C4'-P energy: -131.149 bonds (distance) P-C4' energy: -119.468 flat angles C4'-P-C4' energy: -135.126 flat angles P-C4'-P energy: -100.092 tors. eta vs tors. theta energy: -180.707 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 339 Temperature: 1.050000 Total energy: -1995.100260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1995.100260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1995.100260 (E_RNA) where: Base-Base interactions energy: -1330.612 where: short stacking energy: -547.532 Base-Backbone interact. energy: -1.690 local terms energy: -662.797997 where: bonds (distance) C4'-P energy: -127.965 bonds (distance) P-C4' energy: -121.007 flat angles C4'-P-C4' energy: -143.747 flat angles P-C4'-P energy: -99.008 tors. eta vs tors. theta energy: -171.070 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: 8 ===================================== Write number: 339 Temperature: 1.100000 Total energy: -1974.059492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1974.059492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1974.059492 (E_RNA) where: Base-Base interactions energy: -1326.271 where: short stacking energy: -570.116 Base-Backbone interact. energy: -0.400 local terms energy: -647.863115 where: bonds (distance) C4'-P energy: -130.137 bonds (distance) P-C4' energy: -96.309 flat angles C4'-P-C4' energy: -152.112 flat angles P-C4'-P energy: -93.644 tors. eta vs tors. theta energy: -175.662 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.475 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 339 Temperature: 1.150000 Total energy: -1571.077353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1571.077353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1571.077353 (E_RNA) where: Base-Base interactions energy: -1000.515 where: short stacking energy: -450.604 Base-Backbone interact. energy: -2.192 local terms energy: -568.370277 where: bonds (distance) C4'-P energy: -122.512 bonds (distance) P-C4' energy: -114.049 flat angles C4'-P-C4' energy: -114.945 flat angles P-C4'-P energy: -88.148 tors. eta vs tors. theta energy: -128.717 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: 1 ===================================== Write number: 339 Temperature: 1.200000 Total energy: -1224.169849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1224.169849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1224.169849 (E_RNA) where: Base-Base interactions energy: -739.405 where: short stacking energy: -328.483 Base-Backbone interact. energy: 2.793 local terms energy: -487.557429 where: bonds (distance) C4'-P energy: -109.621 bonds (distance) P-C4' energy: -115.737 flat angles C4'-P-C4' energy: -124.120 flat angles P-C4'-P energy: -74.124 tors. eta vs tors. theta energy: -63.955 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 339 Temperature: 1.250000 Total energy: -1001.768057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1001.768057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1001.768057 (E_RNA) where: Base-Base interactions energy: -574.522 where: short stacking energy: -284.470 Base-Backbone interact. energy: 4.096 local terms energy: -431.342555 where: bonds (distance) C4'-P energy: -106.832 bonds (distance) P-C4' energy: -110.302 flat angles C4'-P-C4' energy: -106.123 flat angles P-C4'-P energy: -66.453 tors. eta vs tors. theta energy: -41.633 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 339 Temperature: 1.300000 Total energy: -698.158901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -698.158901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -698.158901 (E_RNA) where: Base-Base interactions energy: -312.526 where: short stacking energy: -183.769 Base-Backbone interact. energy: -2.485 local terms energy: -383.147634 where: bonds (distance) C4'-P energy: -118.522 bonds (distance) P-C4' energy: -115.724 flat angles C4'-P-C4' energy: -103.603 flat angles P-C4'-P energy: -32.812 tors. eta vs tors. theta energy: -12.487 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 339 Temperature: 1.350000 Total energy: -481.244204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -481.244204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -481.244204 (E_RNA) where: Base-Base interactions energy: -155.132 where: short stacking energy: -127.438 Base-Backbone interact. energy: -0.139 local terms energy: -325.972637 where: bonds (distance) C4'-P energy: -98.186 bonds (distance) P-C4' energy: -114.137 flat angles C4'-P-C4' energy: -86.257 flat angles P-C4'-P energy: -52.747 tors. eta vs tors. theta energy: 25.355 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: 2 ===================================== Write number: 340 Temperature: 0.900000 Total energy: -2289.815427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2289.815427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2289.815427 (E_RNA) where: Base-Base interactions energy: -1546.625 where: short stacking energy: -652.695 Base-Backbone interact. energy: -2.629 local terms energy: -740.561781 where: bonds (distance) C4'-P energy: -123.142 bonds (distance) P-C4' energy: -134.146 flat angles C4'-P-C4' energy: -156.620 flat angles P-C4'-P energy: -106.852 tors. eta vs tors. theta energy: -219.802 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 340 Temperature: 0.950000 Total energy: -2184.559206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2184.559206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2184.559206 (E_RNA) where: Base-Base interactions energy: -1500.556 where: short stacking energy: -608.086 Base-Backbone interact. energy: -1.294 local terms energy: -682.709032 where: bonds (distance) C4'-P energy: -115.391 bonds (distance) P-C4' energy: -132.757 flat angles C4'-P-C4' energy: -157.169 flat angles P-C4'-P energy: -91.408 tors. eta vs tors. theta energy: -185.984 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 340 Temperature: 1.000000 Total energy: -2071.663859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2071.663859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2071.663859 (E_RNA) where: Base-Base interactions energy: -1394.684 where: short stacking energy: -560.279 Base-Backbone interact. energy: -0.508 local terms energy: -676.471494 where: bonds (distance) C4'-P energy: -132.341 bonds (distance) P-C4' energy: -120.496 flat angles C4'-P-C4' energy: -142.465 flat angles P-C4'-P energy: -89.845 tors. eta vs tors. theta energy: -191.325 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 340 Temperature: 1.050000 Total energy: -2052.627208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2052.627208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2052.627208 (E_RNA) where: Base-Base interactions energy: -1403.808 where: short stacking energy: -597.646 Base-Backbone interact. energy: -2.441 local terms energy: -646.378367 where: bonds (distance) C4'-P energy: -119.263 bonds (distance) P-C4' energy: -104.502 flat angles C4'-P-C4' energy: -144.119 flat angles P-C4'-P energy: -90.935 tors. eta vs tors. theta energy: -187.559 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: 5, replica: 8 ===================================== Write number: 340 Temperature: 1.100000 Total energy: -1959.490684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1959.490684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1959.490684 (E_RNA) where: Base-Base interactions energy: -1330.914 where: short stacking energy: -597.723 Base-Backbone interact. energy: -3.112 local terms energy: -625.463744 where: bonds (distance) C4'-P energy: -117.906 bonds (distance) P-C4' energy: -118.986 flat angles C4'-P-C4' energy: -126.074 flat angles P-C4'-P energy: -91.937 tors. eta vs tors. theta energy: -170.560 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: 10 ===================================== Write number: 340 Temperature: 1.150000 Total energy: -1527.597948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1527.597948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1527.597948 (E_RNA) where: Base-Base interactions energy: -977.921 where: short stacking energy: -440.226 Base-Backbone interact. energy: -0.375 local terms energy: -549.301545 where: bonds (distance) C4'-P energy: -103.285 bonds (distance) P-C4' energy: -124.098 flat angles C4'-P-C4' energy: -128.307 flat angles P-C4'-P energy: -74.524 tors. eta vs tors. theta energy: -119.088 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 340 Temperature: 1.200000 Total energy: -1223.785807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1223.785807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1223.785807 (E_RNA) where: Base-Base interactions energy: -760.486 where: short stacking energy: -332.755 Base-Backbone interact. energy: 1.721 local terms energy: -465.020345 where: bonds (distance) C4'-P energy: -108.514 bonds (distance) P-C4' energy: -112.396 flat angles C4'-P-C4' energy: -113.164 flat angles P-C4'-P energy: -63.580 tors. eta vs tors. theta energy: -67.367 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: 8, replica: 3 ===================================== Write number: 340 Temperature: 1.250000 Total energy: -1012.643063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1012.643063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1012.643063 (E_RNA) where: Base-Base interactions energy: -566.230 where: short stacking energy: -301.773 Base-Backbone interact. energy: 5.096 local terms energy: -451.509393 where: bonds (distance) C4'-P energy: -108.418 bonds (distance) P-C4' energy: -120.877 flat angles C4'-P-C4' energy: -100.306 flat angles P-C4'-P energy: -76.378 tors. eta vs tors. theta energy: -45.530 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: 9, replica: 9 ===================================== Write number: 340 Temperature: 1.300000 Total energy: -684.208060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -684.208060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -684.208060 (E_RNA) where: Base-Base interactions energy: -347.904 where: short stacking energy: -204.877 Base-Backbone interact. energy: 0.659 local terms energy: -336.963022 where: bonds (distance) C4'-P energy: -92.598 bonds (distance) P-C4' energy: -99.134 flat angles C4'-P-C4' energy: -81.619 flat angles P-C4'-P energy: -55.305 tors. eta vs tors. theta energy: -8.306 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: 4 ===================================== Write number: 340 Temperature: 1.350000 Total energy: -487.316541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -487.316541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -487.316541 (E_RNA) where: Base-Base interactions energy: -175.548 where: short stacking energy: -142.375 Base-Backbone interact. energy: 0.263 local terms energy: -312.031504 where: bonds (distance) C4'-P energy: -108.637 bonds (distance) P-C4' energy: -99.203 flat angles C4'-P-C4' energy: -82.138 flat angles P-C4'-P energy: -49.676 tors. eta vs tors. theta energy: 27.623 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 341 Temperature: 0.900000 Total energy: -2268.934427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2268.934427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2268.934427 (E_RNA) where: Base-Base interactions energy: -1552.329 where: short stacking energy: -634.542 Base-Backbone interact. energy: -3.733 local terms energy: -712.872570 where: bonds (distance) C4'-P energy: -127.101 bonds (distance) P-C4' energy: -133.382 flat angles C4'-P-C4' energy: -149.807 flat angles P-C4'-P energy: -97.844 tors. eta vs tors. theta energy: -204.738 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: 7 ===================================== Write number: 341 Temperature: 0.950000 Total energy: -2194.087402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2194.087402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2194.087402 (E_RNA) where: Base-Base interactions energy: -1488.745 where: short stacking energy: -598.986 Base-Backbone interact. energy: -3.459 local terms energy: -701.883065 where: bonds (distance) C4'-P energy: -137.138 bonds (distance) P-C4' energy: -138.239 flat angles C4'-P-C4' energy: -141.108 flat angles P-C4'-P energy: -91.310 tors. eta vs tors. theta energy: -194.088 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 341 Temperature: 1.000000 Total energy: -2086.635968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2086.635968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2086.635968 (E_RNA) where: Base-Base interactions energy: -1404.096 where: short stacking energy: -585.884 Base-Backbone interact. energy: -0.777 local terms energy: -681.763504 where: bonds (distance) C4'-P energy: -122.879 bonds (distance) P-C4' energy: -137.188 flat angles C4'-P-C4' energy: -144.743 flat angles P-C4'-P energy: -92.641 tors. eta vs tors. theta energy: -184.313 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: 6 ===================================== Write number: 341 Temperature: 1.050000 Total energy: -2061.933484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2061.933484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2061.933484 (E_RNA) where: Base-Base interactions energy: -1426.281 where: short stacking energy: -608.694 Base-Backbone interact. energy: -1.124 local terms energy: -634.528008 where: bonds (distance) C4'-P energy: -112.146 bonds (distance) P-C4' energy: -114.981 flat angles C4'-P-C4' energy: -137.257 flat angles P-C4'-P energy: -83.463 tors. eta vs tors. theta energy: -186.680 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 341 Temperature: 1.100000 Total energy: -1895.527999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1895.527999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1895.527999 (E_RNA) where: Base-Base interactions energy: -1271.981 where: short stacking energy: -552.175 Base-Backbone interact. energy: -2.859 local terms energy: -620.688511 where: bonds (distance) C4'-P energy: -108.479 bonds (distance) P-C4' energy: -127.397 flat angles C4'-P-C4' energy: -122.901 flat angles P-C4'-P energy: -92.394 tors. eta vs tors. theta energy: -169.518 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: 6, replica: 10 ===================================== Write number: 341 Temperature: 1.150000 Total energy: -1566.460225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1566.460225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1566.460225 (E_RNA) where: Base-Base interactions energy: -1024.107 where: short stacking energy: -420.716 Base-Backbone interact. energy: -1.430 local terms energy: -540.923151 where: bonds (distance) C4'-P energy: -105.548 bonds (distance) P-C4' energy: -115.099 flat angles C4'-P-C4' energy: -129.868 flat angles P-C4'-P energy: -70.963 tors. eta vs tors. theta energy: -119.445 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: 1 ===================================== Write number: 341 Temperature: 1.200000 Total energy: -1158.102431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1158.102431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1158.102431 (E_RNA) where: Base-Base interactions energy: -714.907 where: short stacking energy: -322.491 Base-Backbone interact. energy: -0.568 local terms energy: -442.627908 where: bonds (distance) C4'-P energy: -101.196 bonds (distance) P-C4' energy: -103.318 flat angles C4'-P-C4' energy: -100.723 flat angles P-C4'-P energy: -74.428 tors. eta vs tors. theta energy: -62.963 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 341 Temperature: 1.250000 Total energy: -991.835022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -991.835022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -991.835022 (E_RNA) where: Base-Base interactions energy: -542.372 where: short stacking energy: -264.684 Base-Backbone interact. energy: 1.331 local terms energy: -452.969192 where: bonds (distance) C4'-P energy: -103.554 bonds (distance) P-C4' energy: -128.479 flat angles C4'-P-C4' energy: -99.736 flat angles P-C4'-P energy: -80.099 tors. eta vs tors. theta energy: -41.102 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 2.175 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 341 Temperature: 1.300000 Total energy: -645.800542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -645.800542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -645.800542 (E_RNA) where: Base-Base interactions energy: -302.553 where: short stacking energy: -169.526 Base-Backbone interact. energy: 1.635 local terms energy: -344.882017 where: bonds (distance) C4'-P energy: -119.126 bonds (distance) P-C4' energy: -115.975 flat angles C4'-P-C4' energy: -95.189 flat angles P-C4'-P energy: -36.322 tors. eta vs tors. theta energy: 21.730 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 341 Temperature: 1.350000 Total energy: -497.681454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -497.681454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -497.681454 (E_RNA) where: Base-Base interactions energy: -157.225 where: short stacking energy: -107.467 Base-Backbone interact. energy: 3.091 local terms energy: -343.547782 where: bonds (distance) C4'-P energy: -91.742 bonds (distance) P-C4' energy: -127.179 flat angles C4'-P-C4' energy: -92.552 flat angles P-C4'-P energy: -58.030 tors. eta vs tors. theta energy: 25.956 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: 2 ===================================== Write number: 342 Temperature: 0.900000 Total energy: -2275.452495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2275.452495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2275.452495 (E_RNA) where: Base-Base interactions energy: -1540.362 where: short stacking energy: -641.551 Base-Backbone interact. energy: -3.801 local terms energy: -731.288761 where: bonds (distance) C4'-P energy: -140.680 bonds (distance) P-C4' energy: -143.633 flat angles C4'-P-C4' energy: -147.182 flat angles P-C4'-P energy: -91.156 tors. eta vs tors. theta energy: -208.638 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: 7 ===================================== Write number: 342 Temperature: 0.950000 Total energy: -2175.948226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2175.948226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2175.948226 (E_RNA) where: Base-Base interactions energy: -1488.879 where: short stacking energy: -615.637 Base-Backbone interact. energy: -2.697 local terms energy: -684.372130 where: bonds (distance) C4'-P energy: -111.009 bonds (distance) P-C4' energy: -113.156 flat angles C4'-P-C4' energy: -146.869 flat angles P-C4'-P energy: -102.892 tors. eta vs tors. theta energy: -210.446 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: 5 ===================================== Write number: 342 Temperature: 1.000000 Total energy: -2110.262955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2110.262955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2110.262955 (E_RNA) where: Base-Base interactions energy: -1437.194 where: short stacking energy: -594.608 Base-Backbone interact. energy: 1.859 local terms energy: -674.927525 where: bonds (distance) C4'-P energy: -128.979 bonds (distance) P-C4' energy: -130.021 flat angles C4'-P-C4' energy: -144.695 flat angles P-C4'-P energy: -90.707 tors. eta vs tors. theta energy: -180.525 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 342 Temperature: 1.050000 Total energy: -2032.911962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2032.911962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2032.911962 (E_RNA) where: Base-Base interactions energy: -1365.039 where: short stacking energy: -583.221 Base-Backbone interact. energy: -1.669 local terms energy: -666.203812 where: bonds (distance) C4'-P energy: -128.822 bonds (distance) P-C4' energy: -129.949 flat angles C4'-P-C4' energy: -142.290 flat angles P-C4'-P energy: -84.230 tors. eta vs tors. theta energy: -180.914 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 342 Temperature: 1.100000 Total energy: -1893.714415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1893.714415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1893.714415 (E_RNA) where: Base-Base interactions energy: -1272.270 where: short stacking energy: -533.267 Base-Backbone interact. energy: -4.338 local terms energy: -617.106142 where: bonds (distance) C4'-P energy: -127.960 bonds (distance) P-C4' energy: -114.174 flat angles C4'-P-C4' energy: -129.606 flat angles P-C4'-P energy: -76.349 tors. eta vs tors. theta energy: -169.018 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 342 Temperature: 1.150000 Total energy: -1552.617518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1552.617518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1552.617518 (E_RNA) where: Base-Base interactions energy: -994.988 where: short stacking energy: -417.454 Base-Backbone interact. energy: -0.794 local terms energy: -556.835049 where: bonds (distance) C4'-P energy: -102.024 bonds (distance) P-C4' energy: -116.801 flat angles C4'-P-C4' energy: -139.501 flat angles P-C4'-P energy: -78.480 tors. eta vs tors. theta energy: -120.029 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 342 Temperature: 1.200000 Total energy: -1184.621200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1184.621200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1184.621200 (E_RNA) where: Base-Base interactions energy: -713.387 where: short stacking energy: -323.879 Base-Backbone interact. energy: -4.291 local terms energy: -466.943044 where: bonds (distance) C4'-P energy: -101.205 bonds (distance) P-C4' energy: -113.020 flat angles C4'-P-C4' energy: -115.078 flat angles P-C4'-P energy: -82.538 tors. eta vs tors. theta energy: -55.102 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: 3 ===================================== Write number: 342 Temperature: 1.250000 Total energy: -994.320199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -994.320199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -994.320199 (E_RNA) where: Base-Base interactions energy: -566.538 where: short stacking energy: -284.567 Base-Backbone interact. energy: -0.678 local terms energy: -427.523611 where: bonds (distance) C4'-P energy: -106.084 bonds (distance) P-C4' energy: -91.607 flat angles C4'-P-C4' energy: -124.356 flat angles P-C4'-P energy: -55.258 tors. eta vs tors. theta energy: -50.219 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.419 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 342 Temperature: 1.300000 Total energy: -678.789058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -678.789058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -678.789058 (E_RNA) where: Base-Base interactions energy: -317.906 where: short stacking energy: -195.871 Base-Backbone interact. energy: 2.714 local terms energy: -363.596957 where: bonds (distance) C4'-P energy: -88.806 bonds (distance) P-C4' energy: -117.619 flat angles C4'-P-C4' energy: -100.657 flat angles P-C4'-P energy: -68.780 tors. eta vs tors. theta energy: 12.265 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: 10, replica: 4 ===================================== Write number: 342 Temperature: 1.350000 Total energy: -491.170262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -491.170262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -491.170262 (E_RNA) where: Base-Base interactions energy: -176.935 where: short stacking energy: -142.894 Base-Backbone interact. energy: -2.711 local terms energy: -311.524464 where: bonds (distance) C4'-P energy: -110.104 bonds (distance) P-C4' energy: -110.585 flat angles C4'-P-C4' energy: -72.070 flat angles P-C4'-P energy: -52.956 tors. eta vs tors. theta energy: 34.191 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: 2 ===================================== Write number: 343 Temperature: 0.900000 Total energy: -2271.419638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2271.419638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2271.419638 (E_RNA) where: Base-Base interactions energy: -1542.148 where: short stacking energy: -637.504 Base-Backbone interact. energy: -0.846 local terms energy: -728.426322 where: bonds (distance) C4'-P energy: -129.509 bonds (distance) P-C4' energy: -137.822 flat angles C4'-P-C4' energy: -148.484 flat angles P-C4'-P energy: -103.208 tors. eta vs tors. theta energy: -209.404 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: 2, replica: 7 ===================================== Write number: 343 Temperature: 0.950000 Total energy: -2174.354384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2174.354384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2174.354384 (E_RNA) where: Base-Base interactions energy: -1469.349 where: short stacking energy: -605.600 Base-Backbone interact. energy: 0.346 local terms energy: -705.350886 where: bonds (distance) C4'-P energy: -140.066 bonds (distance) P-C4' energy: -134.726 flat angles C4'-P-C4' energy: -154.670 flat angles P-C4'-P energy: -97.272 tors. eta vs tors. theta energy: -178.617 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: 5 ===================================== Write number: 343 Temperature: 1.000000 Total energy: -2088.956243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2088.956243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2088.956243 (E_RNA) where: Base-Base interactions energy: -1418.364 where: short stacking energy: -612.356 Base-Backbone interact. energy: -2.264 local terms energy: -668.328512 where: bonds (distance) C4'-P energy: -131.276 bonds (distance) P-C4' energy: -121.890 flat angles C4'-P-C4' energy: -140.488 flat angles P-C4'-P energy: -92.494 tors. eta vs tors. theta energy: -182.181 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: 6 ===================================== Write number: 343 Temperature: 1.050000 Total energy: -2076.470075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2076.470075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2076.470075 (E_RNA) where: Base-Base interactions energy: -1418.222 where: short stacking energy: -636.375 Base-Backbone interact. energy: -2.254 local terms energy: -655.994248 where: bonds (distance) C4'-P energy: -101.613 bonds (distance) P-C4' energy: -112.967 flat angles C4'-P-C4' energy: -143.874 flat angles P-C4'-P energy: -97.592 tors. eta vs tors. theta energy: -199.948 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: 343 Temperature: 1.100000 Total energy: -1865.078539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1865.078539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1865.078539 (E_RNA) where: Base-Base interactions energy: -1267.763 where: short stacking energy: -540.384 Base-Backbone interact. energy: 3.699 local terms energy: -601.014916 where: bonds (distance) C4'-P energy: -111.591 bonds (distance) P-C4' energy: -111.439 flat angles C4'-P-C4' energy: -137.983 flat angles P-C4'-P energy: -69.470 tors. eta vs tors. theta energy: -170.533 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 343 Temperature: 1.150000 Total energy: -1661.885466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1661.885466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1661.885466 (E_RNA) where: Base-Base interactions energy: -1082.750 where: short stacking energy: -475.925 Base-Backbone interact. energy: -2.640 local terms energy: -576.495611 where: bonds (distance) C4'-P energy: -106.278 bonds (distance) P-C4' energy: -125.246 flat angles C4'-P-C4' energy: -125.772 flat angles P-C4'-P energy: -84.021 tors. eta vs tors. theta energy: -135.180 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: 1 ===================================== Write number: 343 Temperature: 1.200000 Total energy: -1146.795048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1146.795048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1146.795048 (E_RNA) where: Base-Base interactions energy: -678.585 where: short stacking energy: -303.866 Base-Backbone interact. energy: 0.539 local terms energy: -468.749254 where: bonds (distance) C4'-P energy: -110.090 bonds (distance) P-C4' energy: -114.339 flat angles C4'-P-C4' energy: -117.543 flat angles P-C4'-P energy: -64.272 tors. eta vs tors. theta energy: -62.505 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: 8, replica: 3 ===================================== Write number: 343 Temperature: 1.250000 Total energy: -1008.934041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1008.934041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1008.934041 (E_RNA) where: Base-Base interactions energy: -576.392 where: short stacking energy: -270.169 Base-Backbone interact. energy: -0.866 local terms energy: -431.675703 where: bonds (distance) C4'-P energy: -100.073 bonds (distance) P-C4' energy: -110.245 flat angles C4'-P-C4' energy: -107.938 flat angles P-C4'-P energy: -75.451 tors. eta vs tors. theta energy: -37.969 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 343 Temperature: 1.300000 Total energy: -675.465043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -675.465043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -675.465043 (E_RNA) where: Base-Base interactions energy: -330.634 where: short stacking energy: -186.385 Base-Backbone interact. energy: -0.948 local terms energy: -343.883287 where: bonds (distance) C4'-P energy: -120.270 bonds (distance) P-C4' energy: -106.606 flat angles C4'-P-C4' energy: -76.706 flat angles P-C4'-P energy: -55.497 tors. eta vs tors. theta energy: 15.195 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 343 Temperature: 1.350000 Total energy: -513.961321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -513.961321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -513.961321 (E_RNA) where: Base-Base interactions energy: -173.293 where: short stacking energy: -114.792 Base-Backbone interact. energy: -1.895 local terms energy: -338.772874 where: bonds (distance) C4'-P energy: -106.734 bonds (distance) P-C4' energy: -127.963 flat angles C4'-P-C4' energy: -73.689 flat angles P-C4'-P energy: -56.995 tors. eta vs tors. theta energy: 26.608 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: 2 ===================================== Write number: 344 Temperature: 0.900000 Total energy: -2295.206713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2295.206713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2295.206713 (E_RNA) where: Base-Base interactions energy: -1544.821 where: short stacking energy: -652.538 Base-Backbone interact. energy: -3.310 local terms energy: -747.076107 where: bonds (distance) C4'-P energy: -132.823 bonds (distance) P-C4' energy: -139.139 flat angles C4'-P-C4' energy: -151.444 flat angles P-C4'-P energy: -108.199 tors. eta vs tors. theta energy: -215.470 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 344 Temperature: 0.950000 Total energy: -2222.186090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2222.186090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2222.186090 (E_RNA) where: Base-Base interactions energy: -1520.513 where: short stacking energy: -636.042 Base-Backbone interact. energy: -4.110 local terms energy: -698.714315 where: bonds (distance) C4'-P energy: -120.873 bonds (distance) P-C4' energy: -120.602 flat angles C4'-P-C4' energy: -160.280 flat angles P-C4'-P energy: -106.242 tors. eta vs tors. theta energy: -190.717 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 1.151 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 344 Temperature: 1.000000 Total energy: -2089.565380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2089.565380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2089.565380 (E_RNA) where: Base-Base interactions energy: -1396.452 where: short stacking energy: -603.622 Base-Backbone interact. energy: -3.158 local terms energy: -689.955359 where: bonds (distance) C4'-P energy: -116.592 bonds (distance) P-C4' energy: -146.390 flat angles C4'-P-C4' energy: -141.857 flat angles P-C4'-P energy: -94.373 tors. eta vs tors. theta energy: -190.743 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 344 Temperature: 1.050000 Total energy: -2073.775251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2073.775251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2073.775251 (E_RNA) where: Base-Base interactions energy: -1403.923 where: short stacking energy: -603.493 Base-Backbone interact. energy: -2.877 local terms energy: -666.976072 where: bonds (distance) C4'-P energy: -124.073 bonds (distance) P-C4' energy: -111.998 flat angles C4'-P-C4' energy: -140.474 flat angles P-C4'-P energy: -98.887 tors. eta vs tors. theta energy: -191.545 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 344 Temperature: 1.100000 Total energy: -1919.463276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1919.463276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1919.463276 (E_RNA) where: Base-Base interactions energy: -1275.545 where: short stacking energy: -545.850 Base-Backbone interact. energy: -2.858 local terms energy: -641.060497 where: bonds (distance) C4'-P energy: -130.761 bonds (distance) P-C4' energy: -113.818 flat angles C4'-P-C4' energy: -137.573 flat angles P-C4'-P energy: -84.184 tors. eta vs tors. theta energy: -174.725 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 344 Temperature: 1.150000 Total energy: -1661.987218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1661.987218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1661.987218 (E_RNA) where: Base-Base interactions energy: -1090.000 where: short stacking energy: -453.624 Base-Backbone interact. energy: 0.693 local terms energy: -572.680660 where: bonds (distance) C4'-P energy: -118.381 bonds (distance) P-C4' energy: -121.836 flat angles C4'-P-C4' energy: -125.113 flat angles P-C4'-P energy: -68.061 tors. eta vs tors. theta energy: -139.290 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 344 Temperature: 1.200000 Total energy: -1157.389049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1157.389049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1157.389049 (E_RNA) where: Base-Base interactions energy: -720.535 where: short stacking energy: -315.132 Base-Backbone interact. energy: -4.088 local terms energy: -432.766773 where: bonds (distance) C4'-P energy: -101.631 bonds (distance) P-C4' energy: -110.833 flat angles C4'-P-C4' energy: -92.632 flat angles P-C4'-P energy: -63.951 tors. eta vs tors. theta energy: -63.720 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: 3 ===================================== Write number: 344 Temperature: 1.250000 Total energy: -935.088280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -935.088280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -935.088280 (E_RNA) where: Base-Base interactions energy: -509.066 where: short stacking energy: -244.076 Base-Backbone interact. energy: 4.060 local terms energy: -430.082765 where: bonds (distance) C4'-P energy: -97.128 bonds (distance) P-C4' energy: -132.034 flat angles C4'-P-C4' energy: -108.773 flat angles P-C4'-P energy: -52.955 tors. eta vs tors. theta energy: -39.193 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 344 Temperature: 1.300000 Total energy: -687.003140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -687.003140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -687.003140 (E_RNA) where: Base-Base interactions energy: -328.813 where: short stacking energy: -203.799 Base-Backbone interact. energy: 4.687 local terms energy: -362.877830 where: bonds (distance) C4'-P energy: -91.066 bonds (distance) P-C4' energy: -117.882 flat angles C4'-P-C4' energy: -91.064 flat angles P-C4'-P energy: -50.376 tors. eta vs tors. theta energy: -12.490 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 344 Temperature: 1.350000 Total energy: -513.063734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -513.063734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -513.063734 (E_RNA) where: Base-Base interactions energy: -176.184 where: short stacking energy: -121.076 Base-Backbone interact. energy: -3.243 local terms energy: -333.636663 where: bonds (distance) C4'-P energy: -111.796 bonds (distance) P-C4' energy: -112.630 flat angles C4'-P-C4' energy: -92.099 flat angles P-C4'-P energy: -56.531 tors. eta vs tors. theta energy: 39.420 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 345 Temperature: 0.900000 Total energy: -2270.631997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2270.631997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2270.631997 (E_RNA) where: Base-Base interactions energy: -1544.286 where: short stacking energy: -629.636 Base-Backbone interact. energy: -1.758 local terms energy: -724.588387 where: bonds (distance) C4'-P energy: -138.065 bonds (distance) P-C4' energy: -130.852 flat angles C4'-P-C4' energy: -154.540 flat angles P-C4'-P energy: -84.495 tors. eta vs tors. theta energy: -216.636 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 345 Temperature: 0.950000 Total energy: -2181.012086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2181.012086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2181.012086 (E_RNA) where: Base-Base interactions energy: -1482.250 where: short stacking energy: -611.933 Base-Backbone interact. energy: 0.085 local terms energy: -698.847004 where: bonds (distance) C4'-P energy: -138.551 bonds (distance) P-C4' energy: -129.711 flat angles C4'-P-C4' energy: -135.250 flat angles P-C4'-P energy: -93.583 tors. eta vs tors. theta energy: -201.752 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 345 Temperature: 1.000000 Total energy: -2104.194280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2104.194280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2104.194280 (E_RNA) where: Base-Base interactions energy: -1411.126 where: short stacking energy: -606.685 Base-Backbone interact. energy: -2.240 local terms energy: -690.827993 where: bonds (distance) C4'-P energy: -138.357 bonds (distance) P-C4' energy: -129.268 flat angles C4'-P-C4' energy: -147.021 flat angles P-C4'-P energy: -92.475 tors. eta vs tors. theta energy: -183.707 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 345 Temperature: 1.050000 Total energy: -2045.297322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2045.297322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2045.297322 (E_RNA) where: Base-Base interactions energy: -1381.528 where: short stacking energy: -570.366 Base-Backbone interact. energy: -0.822 local terms energy: -662.947281 where: bonds (distance) C4'-P energy: -123.486 bonds (distance) P-C4' energy: -117.779 flat angles C4'-P-C4' energy: -149.806 flat angles P-C4'-P energy: -85.701 tors. eta vs tors. theta energy: -186.175 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: 5, replica: 8 ===================================== Write number: 345 Temperature: 1.100000 Total energy: -1926.526483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1926.526483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1926.526483 (E_RNA) where: Base-Base interactions energy: -1307.324 where: short stacking energy: -578.519 Base-Backbone interact. energy: -0.226 local terms energy: -618.976399 where: bonds (distance) C4'-P energy: -93.745 bonds (distance) P-C4' energy: -117.265 flat angles C4'-P-C4' energy: -139.259 flat angles P-C4'-P energy: -96.777 tors. eta vs tors. theta energy: -171.930 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 345 Temperature: 1.150000 Total energy: -1685.992337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1685.992337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1685.992337 (E_RNA) where: Base-Base interactions energy: -1114.838 where: short stacking energy: -470.147 Base-Backbone interact. energy: -2.017 local terms energy: -569.136955 where: bonds (distance) C4'-P energy: -102.907 bonds (distance) P-C4' energy: -111.363 flat angles C4'-P-C4' energy: -136.144 flat angles P-C4'-P energy: -78.179 tors. eta vs tors. theta energy: -140.544 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: 7, replica: 1 ===================================== Write number: 345 Temperature: 1.200000 Total energy: -1161.296595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1161.296595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1161.296595 (E_RNA) where: Base-Base interactions energy: -707.719 where: short stacking energy: -330.295 Base-Backbone interact. energy: 4.162 local terms energy: -457.739695 where: bonds (distance) C4'-P energy: -99.709 bonds (distance) P-C4' energy: -118.973 flat angles C4'-P-C4' energy: -108.261 flat angles P-C4'-P energy: -71.438 tors. eta vs tors. theta energy: -59.358 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 345 Temperature: 1.250000 Total energy: -1005.098887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1005.098887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1005.098887 (E_RNA) where: Base-Base interactions energy: -594.804 where: short stacking energy: -312.535 Base-Backbone interact. energy: 0.626 local terms energy: -410.920752 where: bonds (distance) C4'-P energy: -96.580 bonds (distance) P-C4' energy: -102.135 flat angles C4'-P-C4' energy: -89.261 flat angles P-C4'-P energy: -69.668 tors. eta vs tors. theta energy: -53.277 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 345 Temperature: 1.300000 Total energy: -740.054334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -740.054334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -740.054334 (E_RNA) where: Base-Base interactions energy: -368.217 where: short stacking energy: -201.608 Base-Backbone interact. energy: 1.852 local terms energy: -373.689727 where: bonds (distance) C4'-P energy: -109.456 bonds (distance) P-C4' energy: -108.072 flat angles C4'-P-C4' energy: -107.126 flat angles P-C4'-P energy: -48.514 tors. eta vs tors. theta energy: -0.520 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 345 Temperature: 1.350000 Total energy: -540.019065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -540.019065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -540.019065 (E_RNA) where: Base-Base interactions energy: -221.865 where: short stacking energy: -123.944 Base-Backbone interact. energy: -0.083 local terms energy: -318.071503 where: bonds (distance) C4'-P energy: -110.449 bonds (distance) P-C4' energy: -109.731 flat angles C4'-P-C4' energy: -71.846 flat angles P-C4'-P energy: -49.411 tors. eta vs tors. theta energy: 23.366 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 346 Temperature: 0.900000 Total energy: -2277.875848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2277.875848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2277.875848 (E_RNA) where: Base-Base interactions energy: -1550.078 where: short stacking energy: -661.369 Base-Backbone interact. energy: -1.892 local terms energy: -725.905653 where: bonds (distance) C4'-P energy: -128.380 bonds (distance) P-C4' energy: -131.404 flat angles C4'-P-C4' energy: -145.942 flat angles P-C4'-P energy: -104.028 tors. eta vs tors. theta energy: -216.152 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: 7 ===================================== Write number: 346 Temperature: 0.950000 Total energy: -2221.562723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2221.562723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2221.562723 (E_RNA) where: Base-Base interactions energy: -1508.696 where: short stacking energy: -640.148 Base-Backbone interact. energy: -0.478 local terms energy: -712.388585 where: bonds (distance) C4'-P energy: -123.592 bonds (distance) P-C4' energy: -137.911 flat angles C4'-P-C4' energy: -150.852 flat angles P-C4'-P energy: -95.468 tors. eta vs tors. theta energy: -204.566 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: 6 ===================================== Write number: 346 Temperature: 1.000000 Total energy: -2147.212648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2147.212648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2147.212648 (E_RNA) where: Base-Base interactions energy: -1439.455 where: short stacking energy: -602.310 Base-Backbone interact. energy: 2.143 local terms energy: -709.900582 where: bonds (distance) C4'-P energy: -142.792 bonds (distance) P-C4' energy: -133.009 flat angles C4'-P-C4' energy: -149.658 flat angles P-C4'-P energy: -87.055 tors. eta vs tors. theta energy: -197.386 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: 346 Temperature: 1.050000 Total energy: -2032.903406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2032.903406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2032.903406 (E_RNA) where: Base-Base interactions energy: -1374.216 where: short stacking energy: -593.927 Base-Backbone interact. energy: -1.487 local terms energy: -657.200755 where: bonds (distance) C4'-P energy: -131.258 bonds (distance) P-C4' energy: -106.827 flat angles C4'-P-C4' energy: -149.894 flat angles P-C4'-P energy: -84.825 tors. eta vs tors. theta energy: -184.396 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 346 Temperature: 1.100000 Total energy: -1910.509905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1910.509905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1910.509905 (E_RNA) where: Base-Base interactions energy: -1289.937 where: short stacking energy: -561.134 Base-Backbone interact. energy: -2.979 local terms energy: -617.593663 where: bonds (distance) C4'-P energy: -125.349 bonds (distance) P-C4' energy: -116.684 flat angles C4'-P-C4' energy: -125.360 flat angles P-C4'-P energy: -77.991 tors. eta vs tors. theta energy: -172.210 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 346 Temperature: 1.150000 Total energy: -1690.507795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1690.507795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1690.507795 (E_RNA) where: Base-Base interactions energy: -1134.622 where: short stacking energy: -491.991 Base-Backbone interact. energy: -0.992 local terms energy: -554.894451 where: bonds (distance) C4'-P energy: -115.982 bonds (distance) P-C4' energy: -112.916 flat angles C4'-P-C4' energy: -129.989 flat angles P-C4'-P energy: -68.108 tors. eta vs tors. theta energy: -127.899 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 346 Temperature: 1.200000 Total energy: -1161.147413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1161.147413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1161.147413 (E_RNA) where: Base-Base interactions energy: -698.869 where: short stacking energy: -323.254 Base-Backbone interact. energy: -1.100 local terms energy: -461.178635 where: bonds (distance) C4'-P energy: -113.427 bonds (distance) P-C4' energy: -119.121 flat angles C4'-P-C4' energy: -114.272 flat angles P-C4'-P energy: -53.967 tors. eta vs tors. theta energy: -60.392 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 346 Temperature: 1.250000 Total energy: -916.247350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -916.247350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -916.247350 (E_RNA) where: Base-Base interactions energy: -485.816 where: short stacking energy: -247.792 Base-Backbone interact. energy: 5.579 local terms energy: -436.010411 where: bonds (distance) C4'-P energy: -106.976 bonds (distance) P-C4' energy: -131.358 flat angles C4'-P-C4' energy: -115.446 flat angles P-C4'-P energy: -70.801 tors. eta vs tors. theta energy: -11.430 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 346 Temperature: 1.300000 Total energy: -649.927326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -649.927326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -649.927326 (E_RNA) where: Base-Base interactions energy: -282.926 where: short stacking energy: -169.460 Base-Backbone interact. energy: 2.344 local terms energy: -369.344725 where: bonds (distance) C4'-P energy: -122.104 bonds (distance) P-C4' energy: -98.401 flat angles C4'-P-C4' energy: -100.729 flat angles P-C4'-P energy: -55.587 tors. eta vs tors. theta energy: 7.477 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 346 Temperature: 1.350000 Total energy: -492.129394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -492.129394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -492.129394 (E_RNA) where: Base-Base interactions energy: -191.421 where: short stacking energy: -149.709 Base-Backbone interact. energy: 10.466 local terms energy: -311.174665 where: bonds (distance) C4'-P energy: -95.069 bonds (distance) P-C4' energy: -114.861 flat angles C4'-P-C4' energy: -98.039 flat angles P-C4'-P energy: -36.374 tors. eta vs tors. theta energy: 33.169 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 347 Temperature: 0.900000 Total energy: -2263.547007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2263.547007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2263.547007 (E_RNA) where: Base-Base interactions energy: -1538.188 where: short stacking energy: -620.103 Base-Backbone interact. energy: -2.700 local terms energy: -722.659436 where: bonds (distance) C4'-P energy: -122.900 bonds (distance) P-C4' energy: -144.616 flat angles C4'-P-C4' energy: -143.521 flat angles P-C4'-P energy: -103.278 tors. eta vs tors. theta energy: -208.343 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: 2, replica: 7 ===================================== Write number: 347 Temperature: 0.950000 Total energy: -2197.680756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2197.680756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2197.680756 (E_RNA) where: Base-Base interactions energy: -1494.566 where: short stacking energy: -643.177 Base-Backbone interact. energy: -3.200 local terms energy: -699.914265 where: bonds (distance) C4'-P energy: -112.070 bonds (distance) P-C4' energy: -122.954 flat angles C4'-P-C4' energy: -151.781 flat angles P-C4'-P energy: -103.098 tors. eta vs tors. theta energy: -210.011 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 347 Temperature: 1.000000 Total energy: -2146.441112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2146.441112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2146.441112 (E_RNA) where: Base-Base interactions energy: -1421.019 where: short stacking energy: -620.393 Base-Backbone interact. energy: -0.460 local terms energy: -724.962071 where: bonds (distance) C4'-P energy: -123.265 bonds (distance) P-C4' energy: -137.418 flat angles C4'-P-C4' energy: -149.774 flat angles P-C4'-P energy: -105.935 tors. eta vs tors. theta energy: -208.570 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 347 Temperature: 1.050000 Total energy: -1978.886384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1978.886384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1978.886384 (E_RNA) where: Base-Base interactions energy: -1313.976 where: short stacking energy: -559.264 Base-Backbone interact. energy: -2.213 local terms energy: -662.698262 where: bonds (distance) C4'-P energy: -114.315 bonds (distance) P-C4' energy: -139.555 flat angles C4'-P-C4' energy: -141.497 flat angles P-C4'-P energy: -90.632 tors. eta vs tors. theta energy: -176.699 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 347 Temperature: 1.100000 Total energy: -1939.923510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1939.923510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1939.923510 (E_RNA) where: Base-Base interactions energy: -1310.030 where: short stacking energy: -538.577 Base-Backbone interact. energy: -1.148 local terms energy: -628.745433 where: bonds (distance) C4'-P energy: -116.988 bonds (distance) P-C4' energy: -121.865 flat angles C4'-P-C4' energy: -133.979 flat angles P-C4'-P energy: -81.008 tors. eta vs tors. theta energy: -174.905 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 347 Temperature: 1.150000 Total energy: -1711.810948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1711.810948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1711.810948 (E_RNA) where: Base-Base interactions energy: -1160.224 where: short stacking energy: -518.376 Base-Backbone interact. energy: -2.126 local terms energy: -549.461133 where: bonds (distance) C4'-P energy: -111.936 bonds (distance) P-C4' energy: -102.209 flat angles C4'-P-C4' energy: -115.090 flat angles P-C4'-P energy: -71.013 tors. eta vs tors. theta energy: -149.213 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 347 Temperature: 1.200000 Total energy: -1160.669730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1160.669730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1160.669730 (E_RNA) where: Base-Base interactions energy: -688.994 where: short stacking energy: -311.281 Base-Backbone interact. energy: -0.198 local terms energy: -471.477158 where: bonds (distance) C4'-P energy: -98.140 bonds (distance) P-C4' energy: -131.352 flat angles C4'-P-C4' energy: -115.729 flat angles P-C4'-P energy: -59.517 tors. eta vs tors. theta energy: -66.739 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 347 Temperature: 1.250000 Total energy: -969.555608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -969.555608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -969.555608 (E_RNA) where: Base-Base interactions energy: -522.756 where: short stacking energy: -247.843 Base-Backbone interact. energy: -4.151 local terms energy: -442.648387 where: bonds (distance) C4'-P energy: -124.115 bonds (distance) P-C4' energy: -120.277 flat angles C4'-P-C4' energy: -114.388 flat angles P-C4'-P energy: -66.820 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: 9, replica: 9 ===================================== Write number: 347 Temperature: 1.300000 Total energy: -694.627649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -694.627649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -694.627649 (E_RNA) where: Base-Base interactions energy: -315.593 where: short stacking energy: -182.800 Base-Backbone interact. energy: -1.779 local terms energy: -377.255586 where: bonds (distance) C4'-P energy: -113.034 bonds (distance) P-C4' energy: -109.303 flat angles C4'-P-C4' energy: -91.637 flat angles P-C4'-P energy: -62.442 tors. eta vs tors. theta energy: -0.840 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 347 Temperature: 1.350000 Total energy: -472.057661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -472.057661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -472.057661 (E_RNA) where: Base-Base interactions energy: -159.771 where: short stacking energy: -124.713 Base-Backbone interact. energy: -2.534 local terms energy: -309.752755 where: bonds (distance) C4'-P energy: -99.067 bonds (distance) P-C4' energy: -102.956 flat angles C4'-P-C4' energy: -84.253 flat angles P-C4'-P energy: -57.353 tors. eta vs tors. theta energy: 33.877 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: 2 ===================================== Write number: 348 Temperature: 0.900000 Total energy: -2260.721599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2260.721599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2260.721599 (E_RNA) where: Base-Base interactions energy: -1552.112 where: short stacking energy: -627.775 Base-Backbone interact. energy: -3.630 local terms energy: -704.979768 where: bonds (distance) C4'-P energy: -126.132 bonds (distance) P-C4' energy: -136.045 flat angles C4'-P-C4' energy: -145.931 flat angles P-C4'-P energy: -96.625 tors. eta vs tors. theta energy: -200.246 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 348 Temperature: 0.950000 Total energy: -2194.437789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2194.437789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2194.437789 (E_RNA) where: Base-Base interactions energy: -1496.740 where: short stacking energy: -619.464 Base-Backbone interact. energy: -1.571 local terms energy: -696.127078 where: bonds (distance) C4'-P energy: -130.406 bonds (distance) P-C4' energy: -129.495 flat angles C4'-P-C4' energy: -144.775 flat angles P-C4'-P energy: -92.181 tors. eta vs tors. theta energy: -199.270 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 348 Temperature: 1.000000 Total energy: -2114.914479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2114.914479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2114.914479 (E_RNA) where: Base-Base interactions energy: -1407.102 where: short stacking energy: -595.914 Base-Backbone interact. energy: -1.008 local terms energy: -706.804355 where: bonds (distance) C4'-P energy: -133.143 bonds (distance) P-C4' energy: -135.499 flat angles C4'-P-C4' energy: -139.895 flat angles P-C4'-P energy: -96.611 tors. eta vs tors. theta energy: -201.656 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: 5 ===================================== Write number: 348 Temperature: 1.050000 Total energy: -1988.304036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1988.304036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1988.304036 (E_RNA) where: Base-Base interactions energy: -1336.032 where: short stacking energy: -576.610 Base-Backbone interact. energy: -2.265 local terms energy: -650.007035 where: bonds (distance) C4'-P energy: -120.853 bonds (distance) P-C4' energy: -128.681 flat angles C4'-P-C4' energy: -143.640 flat angles P-C4'-P energy: -81.104 tors. eta vs tors. theta energy: -175.729 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 348 Temperature: 1.100000 Total energy: -1989.944528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1989.944528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1989.944528 (E_RNA) where: Base-Base interactions energy: -1346.492 where: short stacking energy: -558.473 Base-Backbone interact. energy: -2.878 local terms energy: -640.574452 where: bonds (distance) C4'-P energy: -130.638 bonds (distance) P-C4' energy: -107.558 flat angles C4'-P-C4' energy: -139.075 flat angles P-C4'-P energy: -92.530 tors. eta vs tors. theta energy: -170.773 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: 10 ===================================== Write number: 348 Temperature: 1.150000 Total energy: -1667.394528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1667.394528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1667.394528 (E_RNA) where: Base-Base interactions energy: -1098.815 where: short stacking energy: -449.521 Base-Backbone interact. energy: 0.738 local terms energy: -569.316845 where: bonds (distance) C4'-P energy: -94.919 bonds (distance) P-C4' energy: -120.557 flat angles C4'-P-C4' energy: -144.790 flat angles P-C4'-P energy: -84.877 tors. eta vs tors. theta energy: -124.174 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 348 Temperature: 1.200000 Total energy: -1214.021828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1214.021828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1214.021828 (E_RNA) where: Base-Base interactions energy: -736.919 where: short stacking energy: -336.918 Base-Backbone interact. energy: -4.156 local terms energy: -472.946934 where: bonds (distance) C4'-P energy: -117.967 bonds (distance) P-C4' energy: -98.591 flat angles C4'-P-C4' energy: -118.062 flat angles P-C4'-P energy: -84.216 tors. eta vs tors. theta energy: -54.110 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: 3 ===================================== Write number: 348 Temperature: 1.250000 Total energy: -949.695987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -949.695987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -949.695987 (E_RNA) where: Base-Base interactions energy: -531.252 where: short stacking energy: -265.874 Base-Backbone interact. energy: 1.648 local terms energy: -420.092426 where: bonds (distance) C4'-P energy: -116.381 bonds (distance) P-C4' energy: -101.557 flat angles C4'-P-C4' energy: -107.997 flat angles P-C4'-P energy: -67.063 tors. eta vs tors. theta energy: -27.094 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 348 Temperature: 1.300000 Total energy: -768.395070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -768.395070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -768.395070 (E_RNA) where: Base-Base interactions energy: -400.143 where: short stacking energy: -209.514 Base-Backbone interact. energy: -2.828 local terms energy: -365.424203 where: bonds (distance) C4'-P energy: -95.981 bonds (distance) P-C4' energy: -119.474 flat angles C4'-P-C4' energy: -69.906 flat angles P-C4'-P energy: -60.962 tors. eta vs tors. theta energy: -19.101 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: 10, replica: 4 ===================================== Write number: 348 Temperature: 1.350000 Total energy: -479.784385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -479.784385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -479.784385 (E_RNA) where: Base-Base interactions energy: -167.663 where: short stacking energy: -122.499 Base-Backbone interact. energy: 1.500 local terms energy: -313.621562 where: bonds (distance) C4'-P energy: -83.717 bonds (distance) P-C4' energy: -104.895 flat angles C4'-P-C4' energy: -103.946 flat angles P-C4'-P energy: -39.075 tors. eta vs tors. theta energy: 18.011 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: 2 ===================================== Write number: 349 Temperature: 0.900000 Total energy: -2268.236739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2268.236739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2268.236739 (E_RNA) where: Base-Base interactions energy: -1561.950 where: short stacking energy: -643.966 Base-Backbone interact. energy: -1.089 local terms energy: -705.197947 where: bonds (distance) C4'-P energy: -126.476 bonds (distance) P-C4' energy: -128.079 flat angles C4'-P-C4' energy: -150.197 flat angles P-C4'-P energy: -94.851 tors. eta vs tors. theta energy: -205.595 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 349 Temperature: 0.950000 Total energy: -2227.755183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2227.755183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2227.755183 (E_RNA) where: Base-Base interactions energy: -1537.789 where: short stacking energy: -640.187 Base-Backbone interact. energy: -1.694 local terms energy: -688.271893 where: bonds (distance) C4'-P energy: -124.203 bonds (distance) P-C4' energy: -115.620 flat angles C4'-P-C4' energy: -143.194 flat angles P-C4'-P energy: -96.328 tors. eta vs tors. theta energy: -208.927 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 349 Temperature: 1.000000 Total energy: -2116.635649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2116.635649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2116.635649 (E_RNA) where: Base-Base interactions energy: -1437.503 where: short stacking energy: -613.233 Base-Backbone interact. energy: 0.840 local terms energy: -679.972662 where: bonds (distance) C4'-P energy: -126.787 bonds (distance) P-C4' energy: -127.170 flat angles C4'-P-C4' energy: -132.637 flat angles P-C4'-P energy: -98.378 tors. eta vs tors. theta energy: -195.000 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 349 Temperature: 1.050000 Total energy: -2083.089707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2083.089707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2083.089707 (E_RNA) where: Base-Base interactions energy: -1426.797 where: short stacking energy: -597.801 Base-Backbone interact. energy: -1.875 local terms energy: -654.417614 where: bonds (distance) C4'-P energy: -107.280 bonds (distance) P-C4' energy: -129.290 flat angles C4'-P-C4' energy: -149.001 flat angles P-C4'-P energy: -78.955 tors. eta vs tors. theta energy: -189.891 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 349 Temperature: 1.100000 Total energy: -1940.253247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1940.253247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1940.253247 (E_RNA) where: Base-Base interactions energy: -1324.805 where: short stacking energy: -566.544 Base-Backbone interact. energy: -2.243 local terms energy: -613.205917 where: bonds (distance) C4'-P energy: -103.245 bonds (distance) P-C4' energy: -112.248 flat angles C4'-P-C4' energy: -128.689 flat angles P-C4'-P energy: -92.533 tors. eta vs tors. theta energy: -176.491 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 349 Temperature: 1.150000 Total energy: -1688.752972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1688.752972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1688.752972 (E_RNA) where: Base-Base interactions energy: -1125.410 where: short stacking energy: -490.491 Base-Backbone interact. energy: 1.766 local terms energy: -565.109697 where: bonds (distance) C4'-P energy: -120.723 bonds (distance) P-C4' energy: -115.706 flat angles C4'-P-C4' energy: -128.899 flat angles P-C4'-P energy: -62.843 tors. eta vs tors. theta energy: -136.939 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: 1 ===================================== Write number: 349 Temperature: 1.200000 Total energy: -1192.538501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1192.538501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1192.538501 (E_RNA) where: Base-Base interactions energy: -758.942 where: short stacking energy: -347.024 Base-Backbone interact. energy: -1.978 local terms energy: -431.617939 where: bonds (distance) C4'-P energy: -96.505 bonds (distance) P-C4' energy: -102.460 flat angles C4'-P-C4' energy: -114.763 flat angles P-C4'-P energy: -65.584 tors. eta vs tors. theta energy: -52.306 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: 3 ===================================== Write number: 349 Temperature: 1.250000 Total energy: -980.518283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -980.518283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -980.518283 (E_RNA) where: Base-Base interactions energy: -530.964 where: short stacking energy: -271.713 Base-Backbone interact. energy: 2.942 local terms energy: -452.495673 where: bonds (distance) C4'-P energy: -101.076 bonds (distance) P-C4' energy: -130.540 flat angles C4'-P-C4' energy: -120.364 flat angles P-C4'-P energy: -64.284 tors. eta vs tors. theta energy: -36.233 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 349 Temperature: 1.300000 Total energy: -731.213812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -731.213812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -731.213812 (E_RNA) where: Base-Base interactions energy: -342.902 where: short stacking energy: -207.901 Base-Backbone interact. energy: 1.049 local terms energy: -389.361032 where: bonds (distance) C4'-P energy: -91.243 bonds (distance) P-C4' energy: -119.510 flat angles C4'-P-C4' energy: -93.851 flat angles P-C4'-P energy: -62.873 tors. eta vs tors. theta energy: -21.884 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 349 Temperature: 1.350000 Total energy: -516.353917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -516.353917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -516.353917 (E_RNA) where: Base-Base interactions energy: -188.108 where: short stacking energy: -129.052 Base-Backbone interact. energy: -0.084 local terms energy: -328.161979 where: bonds (distance) C4'-P energy: -93.045 bonds (distance) P-C4' energy: -115.123 flat angles C4'-P-C4' energy: -90.440 flat angles P-C4'-P energy: -52.779 tors. eta vs tors. theta energy: 23.225 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: 2 ===================================== Write number: 350 Temperature: 0.900000 Total energy: -2277.101460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2277.101460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2277.101460 (E_RNA) where: Base-Base interactions energy: -1555.274 where: short stacking energy: -644.203 Base-Backbone interact. energy: 0.451 local terms energy: -722.278165 where: bonds (distance) C4'-P energy: -126.492 bonds (distance) P-C4' energy: -143.182 flat angles C4'-P-C4' energy: -142.383 flat angles P-C4'-P energy: -102.621 tors. eta vs tors. theta energy: -207.601 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 350 Temperature: 0.950000 Total energy: -2203.577874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2203.577874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2203.577874 (E_RNA) where: Base-Base interactions energy: -1497.187 where: short stacking energy: -615.338 Base-Backbone interact. energy: -5.586 local terms energy: -700.805662 where: bonds (distance) C4'-P energy: -130.801 bonds (distance) P-C4' energy: -121.337 flat angles C4'-P-C4' energy: -140.309 flat angles P-C4'-P energy: -99.547 tors. eta vs tors. theta energy: -208.811 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 350 Temperature: 1.000000 Total energy: -2128.653273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2128.653273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2128.653273 (E_RNA) where: Base-Base interactions energy: -1456.629 where: short stacking energy: -616.944 Base-Backbone interact. energy: -0.280 local terms energy: -671.744510 where: bonds (distance) C4'-P energy: -134.285 bonds (distance) P-C4' energy: -99.288 flat angles C4'-P-C4' energy: -138.940 flat angles P-C4'-P energy: -100.667 tors. eta vs tors. theta energy: -198.565 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 350 Temperature: 1.050000 Total energy: -2044.246148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2044.246148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2044.246148 (E_RNA) where: Base-Base interactions energy: -1393.504 where: short stacking energy: -575.997 Base-Backbone interact. energy: -2.028 local terms energy: -648.714881 where: bonds (distance) C4'-P energy: -118.949 bonds (distance) P-C4' energy: -115.550 flat angles C4'-P-C4' energy: -145.555 flat angles P-C4'-P energy: -88.389 tors. eta vs tors. theta energy: -180.272 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 350 Temperature: 1.100000 Total energy: -1908.600235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1908.600235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1908.600235 (E_RNA) where: Base-Base interactions energy: -1291.109 where: short stacking energy: -558.100 Base-Backbone interact. energy: -1.051 local terms energy: -616.440363 where: bonds (distance) C4'-P energy: -118.240 bonds (distance) P-C4' energy: -113.963 flat angles C4'-P-C4' energy: -138.472 flat angles P-C4'-P energy: -82.491 tors. eta vs tors. theta energy: -163.275 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: 10 ===================================== Write number: 350 Temperature: 1.150000 Total energy: -1735.910537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1735.910537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1735.910537 (E_RNA) where: Base-Base interactions energy: -1148.617 where: short stacking energy: -485.547 Base-Backbone interact. energy: 0.928 local terms energy: -588.220761 where: bonds (distance) C4'-P energy: -117.810 bonds (distance) P-C4' energy: -120.375 flat angles C4'-P-C4' energy: -115.373 flat angles P-C4'-P energy: -91.613 tors. eta vs tors. theta energy: -143.049 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: 7, replica: 1 ===================================== Write number: 350 Temperature: 1.200000 Total energy: -1210.898641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1210.898641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1210.898641 (E_RNA) where: Base-Base interactions energy: -717.531 where: short stacking energy: -324.821 Base-Backbone interact. energy: -1.651 local terms energy: -491.715929 where: bonds (distance) C4'-P energy: -124.263 bonds (distance) P-C4' energy: -133.262 flat angles C4'-P-C4' energy: -107.370 flat angles P-C4'-P energy: -70.571 tors. eta vs tors. theta energy: -56.250 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: 3 ===================================== Write number: 350 Temperature: 1.250000 Total energy: -1047.246932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1047.246932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1047.246932 (E_RNA) where: Base-Base interactions energy: -604.841 where: short stacking energy: -281.772 Base-Backbone interact. energy: -2.719 local terms energy: -439.686948 where: bonds (distance) C4'-P energy: -115.067 bonds (distance) P-C4' energy: -130.885 flat angles C4'-P-C4' energy: -100.638 flat angles P-C4'-P energy: -54.132 tors. eta vs tors. theta energy: -38.965 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: 9 ===================================== Write number: 350 Temperature: 1.300000 Total energy: -673.710615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -673.710615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -673.710615 (E_RNA) where: Base-Base interactions energy: -314.498 where: short stacking energy: -182.889 Base-Backbone interact. energy: 4.213 local terms energy: -363.424750 where: bonds (distance) C4'-P energy: -85.840 bonds (distance) P-C4' energy: -127.507 flat angles C4'-P-C4' energy: -98.224 flat angles P-C4'-P energy: -69.988 tors. eta vs tors. theta energy: 18.135 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: 4 ===================================== Write number: 350 Temperature: 1.350000 Total energy: -479.767695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -479.767695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -479.767695 (E_RNA) where: Base-Base interactions energy: -144.757 where: short stacking energy: -91.491 Base-Backbone interact. energy: 0.618 local terms energy: -335.629227 where: bonds (distance) C4'-P energy: -97.776 bonds (distance) P-C4' energy: -122.079 flat angles C4'-P-C4' energy: -89.909 flat angles P-C4'-P energy: -55.942 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: 1, replica: 2 ===================================== Write number: 351 Temperature: 0.900000 Total energy: -2263.903113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2263.903113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2263.903113 (E_RNA) where: Base-Base interactions energy: -1528.112 where: short stacking energy: -632.249 Base-Backbone interact. energy: -2.109 local terms energy: -733.681617 where: bonds (distance) C4'-P energy: -136.762 bonds (distance) P-C4' energy: -138.330 flat angles C4'-P-C4' energy: -156.323 flat angles P-C4'-P energy: -107.966 tors. eta vs tors. theta energy: -194.302 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 351 Temperature: 0.950000 Total energy: -2237.891641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2237.891641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2237.891641 (E_RNA) where: Base-Base interactions energy: -1523.201 where: short stacking energy: -656.278 Base-Backbone interact. energy: 0.659 local terms energy: -716.065133 where: bonds (distance) C4'-P energy: -123.914 bonds (distance) P-C4' energy: -135.350 flat angles C4'-P-C4' energy: -154.555 flat angles P-C4'-P energy: -87.829 tors. eta vs tors. theta energy: -214.417 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.715 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 351 Temperature: 1.000000 Total energy: -2098.523570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2098.523570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2098.523570 (E_RNA) where: Base-Base interactions energy: -1408.985 where: short stacking energy: -615.093 Base-Backbone interact. energy: -1.903 local terms energy: -687.635505 where: bonds (distance) C4'-P energy: -134.653 bonds (distance) P-C4' energy: -113.833 flat angles C4'-P-C4' energy: -142.958 flat angles P-C4'-P energy: -104.090 tors. eta vs tors. theta energy: -192.101 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: 8 ===================================== Write number: 351 Temperature: 1.050000 Total energy: -1976.013799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1976.013799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1976.013799 (E_RNA) where: Base-Base interactions energy: -1321.414 where: short stacking energy: -558.112 Base-Backbone interact. energy: 1.110 local terms energy: -655.709869 where: bonds (distance) C4'-P energy: -119.146 bonds (distance) P-C4' energy: -130.288 flat angles C4'-P-C4' energy: -144.601 flat angles P-C4'-P energy: -76.603 tors. eta vs tors. theta energy: -185.072 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 351 Temperature: 1.100000 Total energy: -1925.135689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1925.135689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1925.135689 (E_RNA) where: Base-Base interactions energy: -1276.091 where: short stacking energy: -548.254 Base-Backbone interact. energy: -2.808 local terms energy: -646.236930 where: bonds (distance) C4'-P energy: -134.201 bonds (distance) P-C4' energy: -110.463 flat angles C4'-P-C4' energy: -130.396 flat angles P-C4'-P energy: -94.449 tors. eta vs tors. theta energy: -176.729 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 351 Temperature: 1.150000 Total energy: -1653.784295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1653.784295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1653.784295 (E_RNA) where: Base-Base interactions energy: -1078.629 where: short stacking energy: -494.712 Base-Backbone interact. energy: -2.170 local terms energy: -572.985895 where: bonds (distance) C4'-P energy: -108.001 bonds (distance) P-C4' energy: -122.757 flat angles C4'-P-C4' energy: -120.360 flat angles P-C4'-P energy: -88.033 tors. eta vs tors. theta energy: -133.834 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: 1 ===================================== Write number: 351 Temperature: 1.200000 Total energy: -1192.841895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1192.841895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1192.841895 (E_RNA) where: Base-Base interactions energy: -740.236 where: short stacking energy: -311.033 Base-Backbone interact. energy: 0.939 local terms energy: -453.544339 where: bonds (distance) C4'-P energy: -123.773 bonds (distance) P-C4' energy: -109.781 flat angles C4'-P-C4' energy: -99.864 flat angles P-C4'-P energy: -65.594 tors. eta vs tors. theta energy: -54.532 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 351 Temperature: 1.250000 Total energy: -1083.772947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1083.772947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1083.772947 (E_RNA) where: Base-Base interactions energy: -600.392 where: short stacking energy: -309.618 Base-Backbone interact. energy: 1.605 local terms energy: -484.985670 where: bonds (distance) C4'-P energy: -97.972 bonds (distance) P-C4' energy: -132.960 flat angles C4'-P-C4' energy: -119.474 flat angles P-C4'-P energy: -62.094 tors. eta vs tors. theta energy: -72.486 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 351 Temperature: 1.300000 Total energy: -670.630244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -670.630244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -670.630244 (E_RNA) where: Base-Base interactions energy: -321.705 where: short stacking energy: -151.958 Base-Backbone interact. energy: 1.010 local terms energy: -349.934549 where: bonds (distance) C4'-P energy: -109.259 bonds (distance) P-C4' energy: -122.245 flat angles C4'-P-C4' energy: -81.695 flat angles P-C4'-P energy: -54.886 tors. eta vs tors. theta energy: 18.150 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: 351 Temperature: 1.350000 Total energy: -496.221216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -496.221216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -496.221216 (E_RNA) where: Base-Base interactions energy: -145.323 where: short stacking energy: -127.178 Base-Backbone interact. energy: 6.617 local terms energy: -357.515243 where: bonds (distance) C4'-P energy: -119.296 bonds (distance) P-C4' energy: -109.619 flat angles C4'-P-C4' energy: -83.991 flat angles P-C4'-P energy: -59.650 tors. eta vs tors. theta energy: 15.041 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 352 Temperature: 0.900000 Total energy: -2282.867434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2282.867434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2282.867434 (E_RNA) where: Base-Base interactions energy: -1540.225 where: short stacking energy: -655.244 Base-Backbone interact. energy: -2.624 local terms energy: -740.018304 where: bonds (distance) C4'-P energy: -132.688 bonds (distance) P-C4' energy: -139.796 flat angles C4'-P-C4' energy: -166.032 flat angles P-C4'-P energy: -95.665 tors. eta vs tors. theta energy: -205.837 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: 7 ===================================== Write number: 352 Temperature: 0.950000 Total energy: -2203.119718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2203.119718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2203.119718 (E_RNA) where: Base-Base interactions energy: -1492.731 where: short stacking energy: -614.831 Base-Backbone interact. energy: -1.700 local terms energy: -708.688121 where: bonds (distance) C4'-P energy: -117.919 bonds (distance) P-C4' energy: -142.347 flat angles C4'-P-C4' energy: -150.225 flat angles P-C4'-P energy: -95.472 tors. eta vs tors. theta energy: -202.725 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 352 Temperature: 1.000000 Total energy: -2132.220417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2132.220417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2132.220417 (E_RNA) where: Base-Base interactions energy: -1440.379 where: short stacking energy: -629.246 Base-Backbone interact. energy: -1.698 local terms energy: -690.143838 where: bonds (distance) C4'-P energy: -120.320 bonds (distance) P-C4' energy: -130.521 flat angles C4'-P-C4' energy: -145.646 flat angles P-C4'-P energy: -94.082 tors. eta vs tors. theta energy: -199.574 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: 8 ===================================== Write number: 352 Temperature: 1.050000 Total energy: -2019.413625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2019.413625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2019.413625 (E_RNA) where: Base-Base interactions energy: -1377.435 where: short stacking energy: -572.931 Base-Backbone interact. energy: -2.000 local terms energy: -639.978776 where: bonds (distance) C4'-P energy: -116.665 bonds (distance) P-C4' energy: -116.730 flat angles C4'-P-C4' energy: -141.828 flat angles P-C4'-P energy: -87.665 tors. eta vs tors. theta energy: -177.090 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: 5, replica: 5 ===================================== Write number: 352 Temperature: 1.100000 Total energy: -1898.498167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1898.498167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1898.498167 (E_RNA) where: Base-Base interactions energy: -1288.947 where: short stacking energy: -554.113 Base-Backbone interact. energy: -2.482 local terms energy: -607.068370 where: bonds (distance) C4'-P energy: -105.474 bonds (distance) P-C4' energy: -110.559 flat angles C4'-P-C4' energy: -135.134 flat angles P-C4'-P energy: -83.919 tors. eta vs tors. theta energy: -171.982 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 352 Temperature: 1.150000 Total energy: -1657.994095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1657.994095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1657.994095 (E_RNA) where: Base-Base interactions energy: -1111.562 where: short stacking energy: -462.029 Base-Backbone interact. energy: -0.014 local terms energy: -546.418240 where: bonds (distance) C4'-P energy: -104.149 bonds (distance) P-C4' energy: -122.751 flat angles C4'-P-C4' energy: -124.000 flat angles P-C4'-P energy: -63.622 tors. eta vs tors. theta energy: -131.895 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 352 Temperature: 1.200000 Total energy: -1198.109027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1198.109027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1198.109027 (E_RNA) where: Base-Base interactions energy: -733.164 where: short stacking energy: -329.896 Base-Backbone interact. energy: 1.161 local terms energy: -466.106166 where: bonds (distance) C4'-P energy: -110.429 bonds (distance) P-C4' energy: -104.257 flat angles C4'-P-C4' energy: -110.740 flat angles P-C4'-P energy: -80.207 tors. eta vs tors. theta energy: -60.473 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 352 Temperature: 1.250000 Total energy: -937.045662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -937.045662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -937.045662 (E_RNA) where: Base-Base interactions energy: -509.020 where: short stacking energy: -237.295 Base-Backbone interact. energy: -0.507 local terms energy: -427.518154 where: bonds (distance) C4'-P energy: -106.294 bonds (distance) P-C4' energy: -121.623 flat angles C4'-P-C4' energy: -112.342 flat angles P-C4'-P energy: -63.386 tors. eta vs tors. theta energy: -23.873 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 352 Temperature: 1.300000 Total energy: -682.008664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -682.008664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -682.008664 (E_RNA) where: Base-Base interactions energy: -309.498 where: short stacking energy: -174.905 Base-Backbone interact. energy: 2.069 local terms energy: -374.579154 where: bonds (distance) C4'-P energy: -101.649 bonds (distance) P-C4' energy: -116.525 flat angles C4'-P-C4' energy: -90.708 flat angles P-C4'-P energy: -78.462 tors. eta vs tors. theta energy: 12.764 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 352 Temperature: 1.350000 Total energy: -512.905852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -512.905852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -512.905852 (E_RNA) where: Base-Base interactions energy: -183.383 where: short stacking energy: -147.898 Base-Backbone interact. energy: 0.947 local terms energy: -330.469065 where: bonds (distance) C4'-P energy: -90.216 bonds (distance) P-C4' energy: -112.944 flat angles C4'-P-C4' energy: -99.784 flat angles P-C4'-P energy: -48.697 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: 2 ===================================== Write number: 353 Temperature: 0.900000 Total energy: -2287.419065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2287.419065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2287.419065 (E_RNA) where: Base-Base interactions energy: -1577.936 where: short stacking energy: -655.637 Base-Backbone interact. energy: -0.455 local terms energy: -709.028326 where: bonds (distance) C4'-P energy: -123.950 bonds (distance) P-C4' energy: -129.988 flat angles C4'-P-C4' energy: -145.555 flat angles P-C4'-P energy: -94.597 tors. eta vs tors. theta energy: -214.939 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: 2, replica: 7 ===================================== Write number: 353 Temperature: 0.950000 Total energy: -2225.915295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2225.915295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2225.915295 (E_RNA) where: Base-Base interactions energy: -1502.990 where: short stacking energy: -642.836 Base-Backbone interact. energy: -3.382 local terms energy: -721.003749 where: bonds (distance) C4'-P energy: -130.274 bonds (distance) P-C4' energy: -134.176 flat angles C4'-P-C4' energy: -145.913 flat angles P-C4'-P energy: -107.738 tors. eta vs tors. theta energy: -202.902 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 1.460 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 353 Temperature: 1.000000 Total energy: -2144.018933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2144.018933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2144.018933 (E_RNA) where: Base-Base interactions energy: -1441.920 where: short stacking energy: -610.626 Base-Backbone interact. energy: 0.021 local terms energy: -702.119315 where: bonds (distance) C4'-P energy: -110.852 bonds (distance) P-C4' energy: -143.780 flat angles C4'-P-C4' energy: -150.969 flat angles P-C4'-P energy: -102.937 tors. eta vs tors. theta energy: -193.582 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: 353 Temperature: 1.050000 Total energy: -2027.734908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2027.734908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2027.734908 (E_RNA) where: Base-Base interactions energy: -1359.403 where: short stacking energy: -584.126 Base-Backbone interact. energy: 2.134 local terms energy: -670.465195 where: bonds (distance) C4'-P energy: -124.383 bonds (distance) P-C4' energy: -132.076 flat angles C4'-P-C4' energy: -138.385 flat angles P-C4'-P energy: -83.705 tors. eta vs tors. theta energy: -191.916 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: 5 ===================================== Write number: 353 Temperature: 1.100000 Total energy: -1935.697399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1935.697399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1935.697399 (E_RNA) where: Base-Base interactions energy: -1297.442 where: short stacking energy: -563.396 Base-Backbone interact. energy: -0.885 local terms energy: -637.370842 where: bonds (distance) C4'-P energy: -128.913 bonds (distance) P-C4' energy: -119.640 flat angles C4'-P-C4' energy: -143.361 flat angles P-C4'-P energy: -84.834 tors. eta vs tors. theta energy: -160.623 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: 10 ===================================== Write number: 353 Temperature: 1.150000 Total energy: -1703.775052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1703.775052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1703.775052 (E_RNA) where: Base-Base interactions energy: -1172.688 where: short stacking energy: -473.379 Base-Backbone interact. energy: 1.512 local terms energy: -532.598883 where: bonds (distance) C4'-P energy: -101.136 bonds (distance) P-C4' energy: -97.864 flat angles C4'-P-C4' energy: -131.843 flat angles P-C4'-P energy: -73.098 tors. eta vs tors. theta energy: -128.658 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 353 Temperature: 1.200000 Total energy: -1149.082047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1149.082047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1149.082047 (E_RNA) where: Base-Base interactions energy: -687.504 where: short stacking energy: -330.088 Base-Backbone interact. energy: 1.243 local terms energy: -462.821068 where: bonds (distance) C4'-P energy: -118.605 bonds (distance) P-C4' energy: -111.551 flat angles C4'-P-C4' energy: -115.440 flat angles P-C4'-P energy: -59.611 tors. eta vs tors. theta energy: -57.614 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 353 Temperature: 1.250000 Total energy: -1019.913607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1019.913607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1019.913607 (E_RNA) where: Base-Base interactions energy: -596.334 where: short stacking energy: -311.019 Base-Backbone interact. energy: -0.057 local terms energy: -423.522958 where: bonds (distance) C4'-P energy: -96.027 bonds (distance) P-C4' energy: -116.439 flat angles C4'-P-C4' energy: -111.037 flat angles P-C4'-P energy: -54.493 tors. eta vs tors. theta energy: -45.527 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: 9 ===================================== Write number: 353 Temperature: 1.300000 Total energy: -684.102859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -684.102859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -684.102859 (E_RNA) where: Base-Base interactions energy: -301.330 where: short stacking energy: -162.959 Base-Backbone interact. energy: 2.644 local terms energy: -385.416428 where: bonds (distance) C4'-P energy: -113.187 bonds (distance) P-C4' energy: -101.910 flat angles C4'-P-C4' energy: -114.523 flat angles P-C4'-P energy: -55.081 tors. eta vs tors. theta energy: -0.715 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: 4 ===================================== Write number: 353 Temperature: 1.350000 Total energy: -515.320177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -515.320177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -515.320177 (E_RNA) where: Base-Base interactions energy: -181.922 where: short stacking energy: -140.518 Base-Backbone interact. energy: -1.167 local terms energy: -332.231494 where: bonds (distance) C4'-P energy: -114.033 bonds (distance) P-C4' energy: -108.177 flat angles C4'-P-C4' energy: -80.763 flat angles P-C4'-P energy: -47.205 tors. eta vs tors. theta energy: 17.946 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 354 Temperature: 0.900000 Total energy: -2275.021021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2275.021021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2275.021021 (E_RNA) where: Base-Base interactions energy: -1570.215 where: short stacking energy: -642.507 Base-Backbone interact. energy: -3.172 local terms energy: -701.634616 where: bonds (distance) C4'-P energy: -130.681 bonds (distance) P-C4' energy: -128.098 flat angles C4'-P-C4' energy: -151.419 flat angles P-C4'-P energy: -89.073 tors. eta vs tors. theta energy: -202.364 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: 2, replica: 7 ===================================== Write number: 354 Temperature: 0.950000 Total energy: -2216.468208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2216.468208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2216.468208 (E_RNA) where: Base-Base interactions energy: -1503.663 where: short stacking energy: -651.687 Base-Backbone interact. energy: -1.764 local terms energy: -711.041058 where: bonds (distance) C4'-P energy: -128.995 bonds (distance) P-C4' energy: -114.309 flat angles C4'-P-C4' energy: -144.964 flat angles P-C4'-P energy: -113.398 tors. eta vs tors. theta energy: -209.375 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 354 Temperature: 1.000000 Total energy: -2149.126043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2149.126043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2149.126043 (E_RNA) where: Base-Base interactions energy: -1430.956 where: short stacking energy: -614.688 Base-Backbone interact. energy: -0.646 local terms energy: -717.524179 where: bonds (distance) C4'-P energy: -121.277 bonds (distance) P-C4' energy: -123.989 flat angles C4'-P-C4' energy: -159.788 flat angles P-C4'-P energy: -109.063 tors. eta vs tors. theta energy: -203.407 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 354 Temperature: 1.050000 Total energy: -2022.186086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2022.186086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2022.186086 (E_RNA) where: Base-Base interactions energy: -1380.769 where: short stacking energy: -558.222 Base-Backbone interact. energy: 0.601 local terms energy: -642.017857 where: bonds (distance) C4'-P energy: -113.689 bonds (distance) P-C4' energy: -132.005 flat angles C4'-P-C4' energy: -124.756 flat angles P-C4'-P energy: -94.190 tors. eta vs tors. theta energy: -177.378 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 354 Temperature: 1.100000 Total energy: -1953.095707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1953.095707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1953.095707 (E_RNA) where: Base-Base interactions energy: -1299.478 where: short stacking energy: -571.353 Base-Backbone interact. energy: -1.126 local terms energy: -652.491524 where: bonds (distance) C4'-P energy: -120.127 bonds (distance) P-C4' energy: -134.057 flat angles C4'-P-C4' energy: -149.415 flat angles P-C4'-P energy: -79.078 tors. eta vs tors. theta energy: -169.814 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 354 Temperature: 1.150000 Total energy: -1650.703292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1650.703292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1650.703292 (E_RNA) where: Base-Base interactions energy: -1070.164 where: short stacking energy: -459.057 Base-Backbone interact. energy: -5.272 local terms energy: -575.267323 where: bonds (distance) C4'-P energy: -116.849 bonds (distance) P-C4' energy: -110.277 flat angles C4'-P-C4' energy: -123.159 flat angles P-C4'-P energy: -78.648 tors. eta vs tors. theta energy: -146.334 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: 1 ===================================== Write number: 354 Temperature: 1.200000 Total energy: -1157.591239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1157.591239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1157.591239 (E_RNA) where: Base-Base interactions energy: -679.934 where: short stacking energy: -320.045 Base-Backbone interact. energy: -1.445 local terms energy: -476.212806 where: bonds (distance) C4'-P energy: -112.863 bonds (distance) P-C4' energy: -107.065 flat angles C4'-P-C4' energy: -122.635 flat angles P-C4'-P energy: -63.202 tors. eta vs tors. theta energy: -70.448 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: 3 ===================================== Write number: 354 Temperature: 1.250000 Total energy: -1019.144469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1019.144469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1019.144469 (E_RNA) where: Base-Base interactions energy: -556.374 where: short stacking energy: -263.062 Base-Backbone interact. energy: 1.938 local terms energy: -464.708881 where: bonds (distance) C4'-P energy: -116.271 bonds (distance) P-C4' energy: -132.821 flat angles C4'-P-C4' energy: -109.746 flat angles P-C4'-P energy: -74.451 tors. eta vs tors. theta energy: -31.421 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 354 Temperature: 1.300000 Total energy: -742.354829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -742.354829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -742.354829 (E_RNA) where: Base-Base interactions energy: -362.091 where: short stacking energy: -208.165 Base-Backbone interact. energy: 1.444 local terms energy: -381.708706 where: bonds (distance) C4'-P energy: -93.282 bonds (distance) P-C4' energy: -119.009 flat angles C4'-P-C4' energy: -101.288 flat angles P-C4'-P energy: -63.154 tors. eta vs tors. theta energy: -4.976 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: 10, replica: 4 ===================================== Write number: 354 Temperature: 1.350000 Total energy: -486.200383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -486.200383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -486.200383 (E_RNA) where: Base-Base interactions energy: -170.351 where: short stacking energy: -126.584 Base-Backbone interact. energy: -1.432 local terms energy: -314.416557 where: bonds (distance) C4'-P energy: -102.032 bonds (distance) P-C4' energy: -96.483 flat angles C4'-P-C4' energy: -84.763 flat angles P-C4'-P energy: -49.582 tors. eta vs tors. theta energy: 18.443 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 355 Temperature: 0.900000 Total energy: -2289.966738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2289.966738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2289.966738 (E_RNA) where: Base-Base interactions energy: -1565.221 where: short stacking energy: -645.032 Base-Backbone interact. energy: -2.240 local terms energy: -722.505634 where: bonds (distance) C4'-P energy: -112.422 bonds (distance) P-C4' energy: -150.829 flat angles C4'-P-C4' energy: -161.741 flat angles P-C4'-P energy: -94.847 tors. eta vs tors. theta energy: -202.666 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 355 Temperature: 0.950000 Total energy: -2222.046049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2222.046049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2222.046049 (E_RNA) where: Base-Base interactions energy: -1509.834 where: short stacking energy: -643.428 Base-Backbone interact. energy: -4.053 local terms energy: -708.159215 where: bonds (distance) C4'-P energy: -128.591 bonds (distance) P-C4' energy: -124.338 flat angles C4'-P-C4' energy: -148.337 flat angles P-C4'-P energy: -101.293 tors. eta vs tors. theta energy: -205.600 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 355 Temperature: 1.000000 Total energy: -2156.635485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2156.635485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2156.635485 (E_RNA) where: Base-Base interactions energy: -1459.580 where: short stacking energy: -617.286 Base-Backbone interact. energy: 0.282 local terms energy: -697.337724 where: bonds (distance) C4'-P energy: -124.664 bonds (distance) P-C4' energy: -132.893 flat angles C4'-P-C4' energy: -140.859 flat angles P-C4'-P energy: -99.554 tors. eta vs tors. theta energy: -199.367 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 355 Temperature: 1.050000 Total energy: -2047.476763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2047.476763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2047.476763 (E_RNA) where: Base-Base interactions energy: -1375.163 where: short stacking energy: -567.997 Base-Backbone interact. energy: -0.915 local terms energy: -672.083166 where: bonds (distance) C4'-P energy: -131.452 bonds (distance) P-C4' energy: -125.571 flat angles C4'-P-C4' energy: -152.323 flat angles P-C4'-P energy: -90.123 tors. eta vs tors. theta energy: -172.613 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.685 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 355 Temperature: 1.100000 Total energy: -1928.569023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1928.569023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1928.569023 (E_RNA) where: Base-Base interactions energy: -1283.702 where: short stacking energy: -558.966 Base-Backbone interact. energy: -4.126 local terms energy: -640.741310 where: bonds (distance) C4'-P energy: -134.343 bonds (distance) P-C4' energy: -124.268 flat angles C4'-P-C4' energy: -134.083 flat angles P-C4'-P energy: -79.255 tors. eta vs tors. theta energy: -168.792 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 355 Temperature: 1.150000 Total energy: -1638.062751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1638.062751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1638.062751 (E_RNA) where: Base-Base interactions energy: -1059.615 where: short stacking energy: -473.961 Base-Backbone interact. energy: -3.573 local terms energy: -574.874515 where: bonds (distance) C4'-P energy: -115.975 bonds (distance) P-C4' energy: -112.301 flat angles C4'-P-C4' energy: -119.324 flat angles P-C4'-P energy: -88.782 tors. eta vs tors. theta energy: -138.494 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 355 Temperature: 1.200000 Total energy: -1136.857124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1136.857124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1136.857124 (E_RNA) where: Base-Base interactions energy: -662.434 where: short stacking energy: -307.698 Base-Backbone interact. energy: 2.446 local terms energy: -476.869088 where: bonds (distance) C4'-P energy: -109.526 bonds (distance) P-C4' energy: -109.122 flat angles C4'-P-C4' energy: -123.611 flat angles P-C4'-P energy: -81.118 tors. eta vs tors. theta energy: -53.492 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: 3 ===================================== Write number: 355 Temperature: 1.250000 Total energy: -1033.342776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1033.342776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1033.342776 (E_RNA) where: Base-Base interactions energy: -605.018 where: short stacking energy: -301.023 Base-Backbone interact. energy: 3.250 local terms energy: -431.575257 where: bonds (distance) C4'-P energy: -98.573 bonds (distance) P-C4' energy: -106.106 flat angles C4'-P-C4' energy: -109.260 flat angles P-C4'-P energy: -73.874 tors. eta vs tors. theta energy: -43.762 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 355 Temperature: 1.300000 Total energy: -678.574516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -678.574516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -678.574516 (E_RNA) where: Base-Base interactions energy: -359.230 where: short stacking energy: -184.959 Base-Backbone interact. energy: -1.143 local terms energy: -319.514776 where: bonds (distance) C4'-P energy: -73.035 bonds (distance) P-C4' energy: -102.572 flat angles C4'-P-C4' energy: -100.559 flat angles P-C4'-P energy: -49.491 tors. eta vs tors. theta energy: 6.143 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 1.313 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 355 Temperature: 1.350000 Total energy: -476.679960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -476.679960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -476.679960 (E_RNA) where: Base-Base interactions energy: -165.873 where: short stacking energy: -102.019 Base-Backbone interact. energy: -4.266 local terms energy: -306.541744 where: bonds (distance) C4'-P energy: -87.718 bonds (distance) P-C4' energy: -116.586 flat angles C4'-P-C4' energy: -90.181 flat angles P-C4'-P energy: -50.022 tors. eta vs tors. theta energy: 37.966 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 356 Temperature: 0.900000 Total energy: -2275.365075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2275.365075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2275.365075 (E_RNA) where: Base-Base interactions energy: -1556.157 where: short stacking energy: -614.182 Base-Backbone interact. energy: -0.451 local terms energy: -718.757026 where: bonds (distance) C4'-P energy: -129.356 bonds (distance) P-C4' energy: -122.728 flat angles C4'-P-C4' energy: -155.037 flat angles P-C4'-P energy: -102.854 tors. eta vs tors. theta energy: -208.782 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: 7 ===================================== Write number: 356 Temperature: 0.950000 Total energy: -2203.847945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2203.847945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2203.847945 (E_RNA) where: Base-Base interactions energy: -1483.290 where: short stacking energy: -612.639 Base-Backbone interact. energy: -2.960 local terms energy: -717.597421 where: bonds (distance) C4'-P energy: -134.097 bonds (distance) P-C4' energy: -137.705 flat angles C4'-P-C4' energy: -150.429 flat angles P-C4'-P energy: -91.516 tors. eta vs tors. theta energy: -203.851 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 356 Temperature: 1.000000 Total energy: -2111.621825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2111.621825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2111.621825 (E_RNA) where: Base-Base interactions energy: -1454.320 where: short stacking energy: -632.626 Base-Backbone interact. energy: -1.931 local terms energy: -655.371292 where: bonds (distance) C4'-P energy: -100.241 bonds (distance) P-C4' energy: -107.161 flat angles C4'-P-C4' energy: -142.734 flat angles P-C4'-P energy: -102.724 tors. eta vs tors. theta energy: -202.510 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 356 Temperature: 1.050000 Total energy: -2038.844113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2038.844113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2038.844113 (E_RNA) where: Base-Base interactions energy: -1366.731 where: short stacking energy: -564.674 Base-Backbone interact. energy: -0.310 local terms energy: -671.802856 where: bonds (distance) C4'-P energy: -129.028 bonds (distance) P-C4' energy: -130.508 flat angles C4'-P-C4' energy: -131.989 flat angles P-C4'-P energy: -103.774 tors. eta vs tors. theta energy: -176.504 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: 5 ===================================== Write number: 356 Temperature: 1.100000 Total energy: -1930.377377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1930.377377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1930.377377 (E_RNA) where: Base-Base interactions energy: -1308.800 where: short stacking energy: -579.930 Base-Backbone interact. energy: -3.079 local terms energy: -618.498127 where: bonds (distance) C4'-P energy: -111.180 bonds (distance) P-C4' energy: -118.244 flat angles C4'-P-C4' energy: -120.368 flat angles P-C4'-P energy: -73.989 tors. eta vs tors. theta energy: -194.718 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: 6, replica: 10 ===================================== Write number: 356 Temperature: 1.150000 Total energy: -1676.658748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1676.658748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1676.658748 (E_RNA) where: Base-Base interactions energy: -1115.858 where: short stacking energy: -496.163 Base-Backbone interact. energy: -3.546 local terms energy: -557.254242 where: bonds (distance) C4'-P energy: -108.863 bonds (distance) P-C4' energy: -111.567 flat angles C4'-P-C4' energy: -119.623 flat angles P-C4'-P energy: -91.173 tors. eta vs tors. theta energy: -126.029 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 356 Temperature: 1.200000 Total energy: -1209.162694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1209.162694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1209.162694 (E_RNA) where: Base-Base interactions energy: -728.762 where: short stacking energy: -347.975 Base-Backbone interact. energy: -2.863 local terms energy: -477.537419 where: bonds (distance) C4'-P energy: -110.952 bonds (distance) P-C4' energy: -114.723 flat angles C4'-P-C4' energy: -108.069 flat angles P-C4'-P energy: -69.650 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: 8, replica: 3 ===================================== Write number: 356 Temperature: 1.250000 Total energy: -909.112700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -909.112700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -909.112700 (E_RNA) where: Base-Base interactions energy: -497.520 where: short stacking energy: -258.636 Base-Backbone interact. energy: -2.653 local terms energy: -408.940179 where: bonds (distance) C4'-P energy: -105.745 bonds (distance) P-C4' energy: -106.009 flat angles C4'-P-C4' energy: -93.741 flat angles P-C4'-P energy: -78.073 tors. eta vs tors. theta energy: -25.373 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 356 Temperature: 1.300000 Total energy: -680.028651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -680.028651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -680.028651 (E_RNA) where: Base-Base interactions energy: -304.719 where: short stacking energy: -180.810 Base-Backbone interact. energy: 4.650 local terms energy: -379.960190 where: bonds (distance) C4'-P energy: -98.989 bonds (distance) P-C4' energy: -108.949 flat angles C4'-P-C4' energy: -100.957 flat angles P-C4'-P energy: -72.143 tors. eta vs tors. theta energy: 1.079 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 356 Temperature: 1.350000 Total energy: -490.229808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -490.229808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -490.229808 (E_RNA) where: Base-Base interactions energy: -140.774 where: short stacking energy: -112.809 Base-Backbone interact. energy: 0.311 local terms energy: -349.766714 where: bonds (distance) C4'-P energy: -102.516 bonds (distance) P-C4' energy: -127.472 flat angles C4'-P-C4' energy: -82.533 flat angles P-C4'-P energy: -61.777 tors. eta vs tors. theta energy: 24.531 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: 2 ===================================== Write number: 357 Temperature: 0.900000 Total energy: -2303.188014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2303.188014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2303.188014 (E_RNA) where: Base-Base interactions energy: -1581.431 where: short stacking energy: -652.854 Base-Backbone interact. energy: -1.280 local terms energy: -720.476953 where: bonds (distance) C4'-P energy: -126.603 bonds (distance) P-C4' energy: -138.671 flat angles C4'-P-C4' energy: -149.007 flat angles P-C4'-P energy: -96.605 tors. eta vs tors. theta energy: -209.592 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: 6 ===================================== Write number: 357 Temperature: 0.950000 Total energy: -2150.560968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2150.560968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2150.560968 (E_RNA) where: Base-Base interactions energy: -1435.889 where: short stacking energy: -623.787 Base-Backbone interact. energy: -5.473 local terms energy: -709.198554 where: bonds (distance) C4'-P energy: -126.178 bonds (distance) P-C4' energy: -126.111 flat angles C4'-P-C4' energy: -152.253 flat angles P-C4'-P energy: -94.874 tors. eta vs tors. theta energy: -209.783 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 357 Temperature: 1.000000 Total energy: -2156.414995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2156.414995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2156.414995 (E_RNA) where: Base-Base interactions energy: -1455.995 where: short stacking energy: -616.495 Base-Backbone interact. energy: -5.674 local terms energy: -694.746196 where: bonds (distance) C4'-P energy: -116.651 bonds (distance) P-C4' energy: -136.188 flat angles C4'-P-C4' energy: -153.663 flat angles P-C4'-P energy: -98.365 tors. eta vs tors. theta energy: -189.879 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: 357 Temperature: 1.050000 Total energy: -2047.500881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2047.500881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2047.500881 (E_RNA) where: Base-Base interactions energy: -1386.244 where: short stacking energy: -582.232 Base-Backbone interact. energy: -1.795 local terms energy: -659.462429 where: bonds (distance) C4'-P energy: -124.436 bonds (distance) P-C4' energy: -121.372 flat angles C4'-P-C4' energy: -138.742 flat angles P-C4'-P energy: -103.871 tors. eta vs tors. theta energy: -171.042 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 357 Temperature: 1.100000 Total energy: -1929.745611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1929.745611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1929.745611 (E_RNA) where: Base-Base interactions energy: -1301.281 where: short stacking energy: -560.905 Base-Backbone interact. energy: -2.938 local terms energy: -625.526298 where: bonds (distance) C4'-P energy: -118.239 bonds (distance) P-C4' energy: -126.715 flat angles C4'-P-C4' energy: -129.658 flat angles P-C4'-P energy: -81.432 tors. eta vs tors. theta energy: -169.483 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 357 Temperature: 1.150000 Total energy: -1666.447270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1666.447270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1666.447270 (E_RNA) where: Base-Base interactions energy: -1095.358 where: short stacking energy: -464.235 Base-Backbone interact. energy: 0.239 local terms energy: -571.328544 where: bonds (distance) C4'-P energy: -113.366 bonds (distance) P-C4' energy: -105.048 flat angles C4'-P-C4' energy: -143.241 flat angles P-C4'-P energy: -82.866 tors. eta vs tors. theta energy: -126.808 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: 1 ===================================== Write number: 357 Temperature: 1.200000 Total energy: -1193.504181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1193.504181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1193.504181 (E_RNA) where: Base-Base interactions energy: -710.425 where: short stacking energy: -330.719 Base-Backbone interact. energy: -4.662 local terms energy: -478.416265 where: bonds (distance) C4'-P energy: -127.731 bonds (distance) P-C4' energy: -123.616 flat angles C4'-P-C4' energy: -115.311 flat angles P-C4'-P energy: -53.969 tors. eta vs tors. theta energy: -57.788 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 357 Temperature: 1.250000 Total energy: -967.685564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -967.685564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -967.685564 (E_RNA) where: Base-Base interactions energy: -535.885 where: short stacking energy: -284.064 Base-Backbone interact. energy: 2.355 local terms energy: -434.155648 where: bonds (distance) C4'-P energy: -98.665 bonds (distance) P-C4' energy: -110.759 flat angles C4'-P-C4' energy: -102.219 flat angles P-C4'-P energy: -69.924 tors. eta vs tors. theta energy: -52.590 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 357 Temperature: 1.300000 Total energy: -679.762332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -679.762332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -679.762332 (E_RNA) where: Base-Base interactions energy: -298.733 where: short stacking energy: -207.549 Base-Backbone interact. energy: 2.928 local terms energy: -383.957670 where: bonds (distance) C4'-P energy: -117.373 bonds (distance) P-C4' energy: -109.890 flat angles C4'-P-C4' energy: -90.617 flat angles P-C4'-P energy: -63.914 tors. eta vs tors. theta energy: -2.164 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 357 Temperature: 1.350000 Total energy: -482.580232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -482.580232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -482.580232 (E_RNA) where: Base-Base interactions energy: -176.387 where: short stacking energy: -156.748 Base-Backbone interact. energy: -2.598 local terms energy: -303.595181 where: bonds (distance) C4'-P energy: -102.027 bonds (distance) P-C4' energy: -113.028 flat angles C4'-P-C4' energy: -87.339 flat angles P-C4'-P energy: -31.373 tors. eta vs tors. theta energy: 30.172 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 358 Temperature: 0.900000 Total energy: -2284.933200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2284.933200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2284.933200 (E_RNA) where: Base-Base interactions energy: -1567.523 where: short stacking energy: -622.720 Base-Backbone interact. energy: -1.761 local terms energy: -715.648882 where: bonds (distance) C4'-P energy: -125.701 bonds (distance) P-C4' energy: -140.388 flat angles C4'-P-C4' energy: -146.825 flat angles P-C4'-P energy: -96.844 tors. eta vs tors. theta energy: -205.891 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 358 Temperature: 0.950000 Total energy: -2160.115414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2160.115414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2160.115414 (E_RNA) where: Base-Base interactions energy: -1428.176 where: short stacking energy: -590.137 Base-Backbone interact. energy: -0.401 local terms energy: -731.538697 where: bonds (distance) C4'-P energy: -138.255 bonds (distance) P-C4' energy: -143.320 flat angles C4'-P-C4' energy: -158.240 flat angles P-C4'-P energy: -92.120 tors. eta vs tors. theta energy: -199.604 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 358 Temperature: 1.000000 Total energy: -2126.970046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2126.970046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2126.970046 (E_RNA) where: Base-Base interactions energy: -1450.837 where: short stacking energy: -584.011 Base-Backbone interact. energy: -3.549 local terms energy: -672.584084 where: bonds (distance) C4'-P energy: -121.672 bonds (distance) P-C4' energy: -128.096 flat angles C4'-P-C4' energy: -133.822 flat angles P-C4'-P energy: -92.040 tors. eta vs tors. theta energy: -196.953 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: 8 ===================================== Write number: 358 Temperature: 1.050000 Total energy: -2064.175358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2064.175358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2064.175358 (E_RNA) where: Base-Base interactions energy: -1385.232 where: short stacking energy: -580.100 Base-Backbone interact. energy: -2.212 local terms energy: -676.731920 where: bonds (distance) C4'-P energy: -120.091 bonds (distance) P-C4' energy: -128.827 flat angles C4'-P-C4' energy: -143.744 flat angles P-C4'-P energy: -93.953 tors. eta vs tors. theta energy: -190.116 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 358 Temperature: 1.100000 Total energy: -1926.025693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1926.025693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1926.025693 (E_RNA) where: Base-Base interactions energy: -1292.057 where: short stacking energy: -565.624 Base-Backbone interact. energy: -1.786 local terms energy: -632.182927 where: bonds (distance) C4'-P energy: -122.401 bonds (distance) P-C4' energy: -111.042 flat angles C4'-P-C4' energy: -124.088 flat angles P-C4'-P energy: -98.123 tors. eta vs tors. theta energy: -176.529 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 358 Temperature: 1.150000 Total energy: -1628.952708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1628.952708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1628.952708 (E_RNA) where: Base-Base interactions energy: -1066.177 where: short stacking energy: -451.314 Base-Backbone interact. energy: -2.133 local terms energy: -560.642072 where: bonds (distance) C4'-P energy: -106.070 bonds (distance) P-C4' energy: -116.018 flat angles C4'-P-C4' energy: -136.624 flat angles P-C4'-P energy: -70.674 tors. eta vs tors. theta energy: -131.257 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 358 Temperature: 1.200000 Total energy: -1146.364367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1146.364367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1146.364367 (E_RNA) where: Base-Base interactions energy: -701.449 where: short stacking energy: -311.004 Base-Backbone interact. energy: -2.321 local terms energy: -443.999445 where: bonds (distance) C4'-P energy: -103.435 bonds (distance) P-C4' energy: -113.633 flat angles C4'-P-C4' energy: -98.703 flat angles P-C4'-P energy: -76.292 tors. eta vs tors. theta energy: -51.936 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 1.405 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 358 Temperature: 1.250000 Total energy: -987.226794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -987.226794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -987.226794 (E_RNA) where: Base-Base interactions energy: -548.245 where: short stacking energy: -257.210 Base-Backbone interact. energy: 2.974 local terms energy: -441.955634 where: bonds (distance) C4'-P energy: -104.317 bonds (distance) P-C4' energy: -121.348 flat angles C4'-P-C4' energy: -97.816 flat angles P-C4'-P energy: -77.314 tors. eta vs tors. theta energy: -41.160 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: 9 ===================================== Write number: 358 Temperature: 1.300000 Total energy: -709.726381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -709.726381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -709.726381 (E_RNA) where: Base-Base interactions energy: -354.817 where: short stacking energy: -195.771 Base-Backbone interact. energy: 0.041 local terms energy: -354.949750 where: bonds (distance) C4'-P energy: -112.448 bonds (distance) P-C4' energy: -78.009 flat angles C4'-P-C4' energy: -85.420 flat angles P-C4'-P energy: -70.585 tors. eta vs tors. theta energy: -8.488 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: 4 ===================================== Write number: 358 Temperature: 1.350000 Total energy: -491.425869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -491.425869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -491.425869 (E_RNA) where: Base-Base interactions energy: -181.642 where: short stacking energy: -139.489 Base-Backbone interact. energy: 3.710 local terms energy: -313.493318 where: bonds (distance) C4'-P energy: -109.629 bonds (distance) P-C4' energy: -114.064 flat angles C4'-P-C4' energy: -80.105 flat angles P-C4'-P energy: -44.582 tors. eta vs tors. theta energy: 34.888 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 359 Temperature: 0.900000 Total energy: -2282.222341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2282.222341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2282.222341 (E_RNA) where: Base-Base interactions energy: -1556.719 where: short stacking energy: -642.688 Base-Backbone interact. energy: -0.936 local terms energy: -724.567508 where: bonds (distance) C4'-P energy: -141.807 bonds (distance) P-C4' energy: -138.444 flat angles C4'-P-C4' energy: -145.665 flat angles P-C4'-P energy: -92.949 tors. eta vs tors. theta energy: -205.703 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 359 Temperature: 0.950000 Total energy: -2194.139917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2194.139917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2194.139917 (E_RNA) where: Base-Base interactions energy: -1465.114 where: short stacking energy: -650.618 Base-Backbone interact. energy: -1.872 local terms energy: -727.154509 where: bonds (distance) C4'-P energy: -143.352 bonds (distance) P-C4' energy: -132.817 flat angles C4'-P-C4' energy: -140.890 flat angles P-C4'-P energy: -103.750 tors. eta vs tors. theta energy: -206.345 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 359 Temperature: 1.000000 Total energy: -2107.088387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2107.088387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2107.088387 (E_RNA) where: Base-Base interactions energy: -1426.537 where: short stacking energy: -579.120 Base-Backbone interact. energy: -2.906 local terms energy: -677.645222 where: bonds (distance) C4'-P energy: -119.166 bonds (distance) P-C4' energy: -134.801 flat angles C4'-P-C4' energy: -137.982 flat angles P-C4'-P energy: -99.206 tors. eta vs tors. theta energy: -186.491 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 359 Temperature: 1.050000 Total energy: -2070.165384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2070.165384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2070.165384 (E_RNA) where: Base-Base interactions energy: -1401.683 where: short stacking energy: -542.113 Base-Backbone interact. energy: -4.111 local terms energy: -664.371335 where: bonds (distance) C4'-P energy: -132.026 bonds (distance) P-C4' energy: -131.793 flat angles C4'-P-C4' energy: -138.053 flat angles P-C4'-P energy: -84.364 tors. eta vs tors. theta energy: -178.134 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: 5 ===================================== Write number: 359 Temperature: 1.100000 Total energy: -1951.572374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1951.572374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1951.572374 (E_RNA) where: Base-Base interactions energy: -1307.232 where: short stacking energy: -560.670 Base-Backbone interact. energy: -0.615 local terms energy: -643.725729 where: bonds (distance) C4'-P energy: -122.481 bonds (distance) P-C4' energy: -118.817 flat angles C4'-P-C4' energy: -126.836 flat angles P-C4'-P energy: -101.579 tors. eta vs tors. theta energy: -174.013 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 359 Temperature: 1.150000 Total energy: -1635.479640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1635.479640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1635.479640 (E_RNA) where: Base-Base interactions energy: -1082.782 where: short stacking energy: -460.708 Base-Backbone interact. energy: -1.755 local terms energy: -550.942775 where: bonds (distance) C4'-P energy: -119.360 bonds (distance) P-C4' energy: -99.376 flat angles C4'-P-C4' energy: -128.302 flat angles P-C4'-P energy: -68.132 tors. eta vs tors. theta energy: -135.772 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 359 Temperature: 1.200000 Total energy: -1146.060930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1146.060930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1146.060930 (E_RNA) where: Base-Base interactions energy: -708.439 where: short stacking energy: -306.633 Base-Backbone interact. energy: -0.030 local terms energy: -437.592351 where: bonds (distance) C4'-P energy: -102.443 bonds (distance) P-C4' energy: -121.128 flat angles C4'-P-C4' energy: -103.867 flat angles P-C4'-P energy: -59.045 tors. eta vs tors. theta energy: -51.110 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: 3 ===================================== Write number: 359 Temperature: 1.250000 Total energy: -1105.014650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1105.014650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1105.014650 (E_RNA) where: Base-Base interactions energy: -657.869 where: short stacking energy: -303.472 Base-Backbone interact. energy: 1.826 local terms energy: -448.971591 where: bonds (distance) C4'-P energy: -110.018 bonds (distance) P-C4' energy: -108.029 flat angles C4'-P-C4' energy: -112.795 flat angles P-C4'-P energy: -63.601 tors. eta vs tors. theta energy: -54.528 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: 9 ===================================== Write number: 359 Temperature: 1.300000 Total energy: -682.623483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -682.623483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -682.623483 (E_RNA) where: Base-Base interactions energy: -299.974 where: short stacking energy: -175.172 Base-Backbone interact. energy: -1.259 local terms energy: -381.390753 where: bonds (distance) C4'-P energy: -108.675 bonds (distance) P-C4' energy: -117.250 flat angles C4'-P-C4' energy: -110.745 flat angles P-C4'-P energy: -52.045 tors. eta vs tors. theta energy: 7.324 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 359 Temperature: 1.350000 Total energy: -497.583212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -497.583212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -497.583212 (E_RNA) where: Base-Base interactions energy: -170.941 where: short stacking energy: -94.316 Base-Backbone interact. energy: 3.132 local terms energy: -329.774775 where: bonds (distance) C4'-P energy: -101.205 bonds (distance) P-C4' energy: -110.506 flat angles C4'-P-C4' energy: -106.237 flat angles P-C4'-P energy: -53.643 tors. eta vs tors. theta energy: 41.816 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: 2 ===================================== Write number: 360 Temperature: 0.900000 Total energy: -2286.642380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2286.642380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2286.642380 (E_RNA) where: Base-Base interactions energy: -1521.378 where: short stacking energy: -609.643 Base-Backbone interact. energy: -2.570 local terms energy: -762.694440 where: bonds (distance) C4'-P energy: -143.843 bonds (distance) P-C4' energy: -143.489 flat angles C4'-P-C4' energy: -163.885 flat angles P-C4'-P energy: -108.608 tors. eta vs tors. theta energy: -202.870 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: 6 ===================================== Write number: 360 Temperature: 0.950000 Total energy: -2205.649332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2205.649332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2205.649332 (E_RNA) where: Base-Base interactions energy: -1481.693 where: short stacking energy: -636.207 Base-Backbone interact. energy: -1.759 local terms energy: -722.196900 where: bonds (distance) C4'-P energy: -135.244 bonds (distance) P-C4' energy: -137.316 flat angles C4'-P-C4' energy: -142.185 flat angles P-C4'-P energy: -95.848 tors. eta vs tors. theta energy: -211.604 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 360 Temperature: 1.000000 Total energy: -2116.991144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2116.991144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2116.991144 (E_RNA) where: Base-Base interactions energy: -1433.674 where: short stacking energy: -585.088 Base-Backbone interact. energy: -1.611 local terms energy: -681.706071 where: bonds (distance) C4'-P energy: -118.244 bonds (distance) P-C4' energy: -129.109 flat angles C4'-P-C4' energy: -146.882 flat angles P-C4'-P energy: -92.705 tors. eta vs tors. theta energy: -194.766 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 360 Temperature: 1.050000 Total energy: -2077.902279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2077.902279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2077.902279 (E_RNA) where: Base-Base interactions energy: -1430.503 where: short stacking energy: -585.557 Base-Backbone interact. energy: -1.809 local terms energy: -645.590638 where: bonds (distance) C4'-P energy: -119.434 bonds (distance) P-C4' energy: -127.665 flat angles C4'-P-C4' energy: -145.165 flat angles P-C4'-P energy: -70.993 tors. eta vs tors. theta energy: -182.334 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 360 Temperature: 1.100000 Total energy: -1911.809810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1911.809810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1911.809810 (E_RNA) where: Base-Base interactions energy: -1312.484 where: short stacking energy: -565.927 Base-Backbone interact. energy: -0.458 local terms energy: -598.868128 where: bonds (distance) C4'-P energy: -93.293 bonds (distance) P-C4' energy: -118.497 flat angles C4'-P-C4' energy: -131.729 flat angles P-C4'-P energy: -75.292 tors. eta vs tors. theta energy: -180.057 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: 10 ===================================== Write number: 360 Temperature: 1.150000 Total energy: -1675.233892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1675.233892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1675.233892 (E_RNA) where: Base-Base interactions energy: -1100.466 where: short stacking energy: -466.739 Base-Backbone interact. energy: -1.644 local terms energy: -573.123852 where: bonds (distance) C4'-P energy: -108.643 bonds (distance) P-C4' energy: -129.008 flat angles C4'-P-C4' energy: -135.274 flat angles P-C4'-P energy: -68.914 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: 7, replica: 1 ===================================== Write number: 360 Temperature: 1.200000 Total energy: -1087.585085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1087.585085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1087.585085 (E_RNA) where: Base-Base interactions energy: -619.117 where: short stacking energy: -306.145 Base-Backbone interact. energy: -3.932 local terms energy: -464.536747 where: bonds (distance) C4'-P energy: -107.231 bonds (distance) P-C4' energy: -123.657 flat angles C4'-P-C4' energy: -114.880 flat angles P-C4'-P energy: -68.720 tors. eta vs tors. theta energy: -50.049 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 360 Temperature: 1.250000 Total energy: -1061.945273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1061.945273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1061.945273 (E_RNA) where: Base-Base interactions energy: -619.904 where: short stacking energy: -270.647 Base-Backbone interact. energy: 3.153 local terms energy: -445.194606 where: bonds (distance) C4'-P energy: -94.248 bonds (distance) P-C4' energy: -129.710 flat angles C4'-P-C4' energy: -105.878 flat angles P-C4'-P energy: -67.525 tors. eta vs tors. theta energy: -47.833 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 360 Temperature: 1.300000 Total energy: -674.452651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -674.452651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -674.452651 (E_RNA) where: Base-Base interactions energy: -302.424 where: short stacking energy: -169.398 Base-Backbone interact. energy: -0.644 local terms energy: -371.384371 where: bonds (distance) C4'-P energy: -100.747 bonds (distance) P-C4' energy: -91.086 flat angles C4'-P-C4' energy: -102.763 flat angles P-C4'-P energy: -74.973 tors. eta vs tors. theta energy: -1.815 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 360 Temperature: 1.350000 Total energy: -492.656758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -492.656758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -492.656758 (E_RNA) where: Base-Base interactions energy: -168.175 where: short stacking energy: -148.090 Base-Backbone interact. energy: 3.307 local terms energy: -327.788030 where: bonds (distance) C4'-P energy: -110.446 bonds (distance) P-C4' energy: -89.550 flat angles C4'-P-C4' energy: -77.101 flat angles P-C4'-P energy: -58.801 tors. eta vs tors. theta energy: 8.110 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 361 Temperature: 0.900000 Total energy: -2290.333342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2290.333342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2290.333342 (E_RNA) where: Base-Base interactions energy: -1581.927 where: short stacking energy: -658.442 Base-Backbone interact. energy: -3.084 local terms energy: -705.321557 where: bonds (distance) C4'-P energy: -116.163 bonds (distance) P-C4' energy: -138.475 flat angles C4'-P-C4' energy: -152.452 flat angles P-C4'-P energy: -96.206 tors. eta vs tors. theta energy: -202.027 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 361 Temperature: 0.950000 Total energy: -2191.916614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2191.916614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2191.916614 (E_RNA) where: Base-Base interactions energy: -1476.444 where: short stacking energy: -642.455 Base-Backbone interact. energy: -4.144 local terms energy: -711.329196 where: bonds (distance) C4'-P energy: -130.806 bonds (distance) P-C4' energy: -124.473 flat angles C4'-P-C4' energy: -158.218 flat angles P-C4'-P energy: -92.536 tors. eta vs tors. theta energy: -205.296 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 361 Temperature: 1.000000 Total energy: -2197.320809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2197.320809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2197.320809 (E_RNA) where: Base-Base interactions energy: -1504.093 where: short stacking energy: -598.694 Base-Backbone interact. energy: -1.065 local terms energy: -692.162473 where: bonds (distance) C4'-P energy: -132.718 bonds (distance) P-C4' energy: -130.998 flat angles C4'-P-C4' energy: -136.881 flat angles P-C4'-P energy: -97.934 tors. eta vs tors. theta energy: -193.631 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 361 Temperature: 1.050000 Total energy: -2055.882947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2055.882947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2055.882947 (E_RNA) where: Base-Base interactions energy: -1391.597 where: short stacking energy: -577.928 Base-Backbone interact. energy: -3.456 local terms energy: -661.012537 where: bonds (distance) C4'-P energy: -131.428 bonds (distance) P-C4' energy: -118.128 flat angles C4'-P-C4' energy: -143.223 flat angles P-C4'-P energy: -84.603 tors. eta vs tors. theta energy: -183.631 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.183 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 361 Temperature: 1.100000 Total energy: -1889.787760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1889.787760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1889.787760 (E_RNA) where: Base-Base interactions energy: -1266.782 where: short stacking energy: -543.360 Base-Backbone interact. energy: -1.933 local terms energy: -621.073579 where: bonds (distance) C4'-P energy: -119.124 bonds (distance) P-C4' energy: -116.567 flat angles C4'-P-C4' energy: -140.813 flat angles P-C4'-P energy: -77.430 tors. eta vs tors. theta energy: -167.140 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 361 Temperature: 1.150000 Total energy: -1711.438082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1711.438082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1711.438082 (E_RNA) where: Base-Base interactions energy: -1134.930 where: short stacking energy: -503.945 Base-Backbone interact. energy: -0.752 local terms energy: -577.602503 where: bonds (distance) C4'-P energy: -102.177 bonds (distance) P-C4' energy: -122.866 flat angles C4'-P-C4' energy: -125.490 flat angles P-C4'-P energy: -76.254 tors. eta vs tors. theta energy: -150.816 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 1.847 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 361 Temperature: 1.200000 Total energy: -1137.020460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1137.020460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1137.020460 (E_RNA) where: Base-Base interactions energy: -704.269 where: short stacking energy: -320.203 Base-Backbone interact. energy: 4.580 local terms energy: -437.331708 where: bonds (distance) C4'-P energy: -101.338 bonds (distance) P-C4' energy: -115.641 flat angles C4'-P-C4' energy: -100.527 flat angles P-C4'-P energy: -55.290 tors. eta vs tors. theta energy: -64.535 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 361 Temperature: 1.250000 Total energy: -991.355490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -991.355490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -991.355490 (E_RNA) where: Base-Base interactions energy: -552.649 where: short stacking energy: -258.700 Base-Backbone interact. energy: -3.826 local terms energy: -434.881098 where: bonds (distance) C4'-P energy: -119.372 bonds (distance) P-C4' energy: -121.296 flat angles C4'-P-C4' energy: -95.793 flat angles P-C4'-P energy: -76.249 tors. eta vs tors. theta energy: -22.172 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 361 Temperature: 1.300000 Total energy: -661.516589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -661.516589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -661.516589 (E_RNA) where: Base-Base interactions energy: -286.143 where: short stacking energy: -183.002 Base-Backbone interact. energy: -2.309 local terms energy: -373.064825 where: bonds (distance) C4'-P energy: -119.170 bonds (distance) P-C4' energy: -118.953 flat angles C4'-P-C4' energy: -96.730 flat angles P-C4'-P energy: -43.056 tors. eta vs tors. theta energy: 4.844 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 361 Temperature: 1.350000 Total energy: -507.124823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -507.124823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -507.124823 (E_RNA) where: Base-Base interactions energy: -179.591 where: short stacking energy: -108.612 Base-Backbone interact. energy: -1.098 local terms energy: -326.435880 where: bonds (distance) C4'-P energy: -104.759 bonds (distance) P-C4' energy: -131.115 flat angles C4'-P-C4' energy: -88.937 flat angles P-C4'-P energy: -52.314 tors. eta vs tors. theta energy: 50.688 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 362 Temperature: 0.900000 Total energy: -2226.967732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2226.967732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2226.967732 (E_RNA) where: Base-Base interactions energy: -1513.202 where: short stacking energy: -658.682 Base-Backbone interact. energy: -3.054 local terms energy: -710.712129 where: bonds (distance) C4'-P energy: -123.696 bonds (distance) P-C4' energy: -127.684 flat angles C4'-P-C4' energy: -146.025 flat angles P-C4'-P energy: -102.994 tors. eta vs tors. theta energy: -210.313 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 362 Temperature: 0.950000 Total energy: -2224.594441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2224.594441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2224.594441 (E_RNA) where: Base-Base interactions energy: -1521.771 where: short stacking energy: -621.906 Base-Backbone interact. energy: -0.437 local terms energy: -702.386166 where: bonds (distance) C4'-P energy: -122.988 bonds (distance) P-C4' energy: -124.286 flat angles C4'-P-C4' energy: -141.535 flat angles P-C4'-P energy: -104.155 tors. eta vs tors. theta energy: -209.422 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: 8 ===================================== Write number: 362 Temperature: 1.000000 Total energy: -2173.148640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2173.148640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2173.148640 (E_RNA) where: Base-Base interactions energy: -1477.816 where: short stacking energy: -591.637 Base-Backbone interact. energy: -2.580 local terms energy: -692.752520 where: bonds (distance) C4'-P energy: -110.055 bonds (distance) P-C4' energy: -138.722 flat angles C4'-P-C4' energy: -157.133 flat angles P-C4'-P energy: -93.898 tors. eta vs tors. theta energy: -192.944 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: 7 ===================================== Write number: 362 Temperature: 1.050000 Total energy: -2038.878697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2038.878697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2038.878697 (E_RNA) where: Base-Base interactions energy: -1393.401 where: short stacking energy: -584.230 Base-Backbone interact. energy: -3.288 local terms energy: -642.190089 where: bonds (distance) C4'-P energy: -139.139 bonds (distance) P-C4' energy: -119.368 flat angles C4'-P-C4' energy: -140.336 flat angles P-C4'-P energy: -73.320 tors. eta vs tors. theta energy: -170.027 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 362 Temperature: 1.100000 Total energy: -1931.826590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1931.826590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1931.826590 (E_RNA) where: Base-Base interactions energy: -1300.553 where: short stacking energy: -557.357 Base-Backbone interact. energy: 0.666 local terms energy: -631.940424 where: bonds (distance) C4'-P energy: -124.856 bonds (distance) P-C4' energy: -128.241 flat angles C4'-P-C4' energy: -127.435 flat angles P-C4'-P energy: -83.293 tors. eta vs tors. theta energy: -168.115 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: 10 ===================================== Write number: 362 Temperature: 1.150000 Total energy: -1684.721843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1684.721843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1684.721843 (E_RNA) where: Base-Base interactions energy: -1125.185 where: short stacking energy: -495.481 Base-Backbone interact. energy: -1.968 local terms energy: -557.568986 where: bonds (distance) C4'-P energy: -111.273 bonds (distance) P-C4' energy: -117.448 flat angles C4'-P-C4' energy: -116.555 flat angles P-C4'-P energy: -83.171 tors. eta vs tors. theta energy: -129.122 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 362 Temperature: 1.200000 Total energy: -1123.057892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1123.057892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1123.057892 (E_RNA) where: Base-Base interactions energy: -672.037 where: short stacking energy: -318.467 Base-Backbone interact. energy: -1.147 local terms energy: -449.874335 where: bonds (distance) C4'-P energy: -104.805 bonds (distance) P-C4' energy: -108.955 flat angles C4'-P-C4' energy: -110.759 flat angles P-C4'-P energy: -70.872 tors. eta vs tors. theta energy: -54.483 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 362 Temperature: 1.250000 Total energy: -982.597883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -982.597883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -982.597883 (E_RNA) where: Base-Base interactions energy: -538.171 where: short stacking energy: -295.011 Base-Backbone interact. energy: -1.117 local terms energy: -443.309134 where: bonds (distance) C4'-P energy: -111.029 bonds (distance) P-C4' energy: -86.959 flat angles C4'-P-C4' energy: -112.528 flat angles P-C4'-P energy: -75.808 tors. eta vs tors. theta energy: -56.985 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 362 Temperature: 1.300000 Total energy: -676.054811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -676.054811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -676.054811 (E_RNA) where: Base-Base interactions energy: -318.174 where: short stacking energy: -178.340 Base-Backbone interact. energy: 1.223 local terms energy: -359.103567 where: bonds (distance) C4'-P energy: -110.157 bonds (distance) P-C4' energy: -89.064 flat angles C4'-P-C4' energy: -111.093 flat angles P-C4'-P energy: -46.713 tors. eta vs tors. theta energy: -2.077 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 362 Temperature: 1.350000 Total energy: -503.734861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -503.734861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -503.734861 (E_RNA) where: Base-Base interactions energy: -160.304 where: short stacking energy: -135.094 Base-Backbone interact. energy: -0.453 local terms energy: -342.977697 where: bonds (distance) C4'-P energy: -124.509 bonds (distance) P-C4' energy: -109.843 flat angles C4'-P-C4' energy: -97.867 flat angles P-C4'-P energy: -44.847 tors. eta vs tors. theta energy: 34.089 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 363 Temperature: 0.900000 Total energy: -2277.474839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2277.474839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2277.474839 (E_RNA) where: Base-Base interactions energy: -1542.159 where: short stacking energy: -649.173 Base-Backbone interact. energy: -2.178 local terms energy: -733.137086 where: bonds (distance) C4'-P energy: -141.222 bonds (distance) P-C4' energy: -136.164 flat angles C4'-P-C4' energy: -157.506 flat angles P-C4'-P energy: -97.287 tors. eta vs tors. theta energy: -200.958 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 363 Temperature: 0.950000 Total energy: -2255.409931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2255.409931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2255.409931 (E_RNA) where: Base-Base interactions energy: -1541.404 where: short stacking energy: -643.734 Base-Backbone interact. energy: -1.601 local terms energy: -712.405184 where: bonds (distance) C4'-P energy: -131.876 bonds (distance) P-C4' energy: -127.471 flat angles C4'-P-C4' energy: -146.969 flat angles P-C4'-P energy: -101.291 tors. eta vs tors. theta energy: -204.798 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 363 Temperature: 1.000000 Total energy: -2127.362261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2127.362261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2127.362261 (E_RNA) where: Base-Base interactions energy: -1443.307 where: short stacking energy: -605.937 Base-Backbone interact. energy: -1.084 local terms energy: -682.971676 where: bonds (distance) C4'-P energy: -122.786 bonds (distance) P-C4' energy: -119.290 flat angles C4'-P-C4' energy: -147.835 flat angles P-C4'-P energy: -95.831 tors. eta vs tors. theta energy: -197.230 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: 7 ===================================== Write number: 363 Temperature: 1.050000 Total energy: -2010.815770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2010.815770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2010.815770 (E_RNA) where: Base-Base interactions energy: -1390.697 where: short stacking energy: -546.496 Base-Backbone interact. energy: 0.049 local terms energy: -620.167494 where: bonds (distance) C4'-P energy: -113.561 bonds (distance) P-C4' energy: -110.841 flat angles C4'-P-C4' energy: -123.736 flat angles P-C4'-P energy: -84.363 tors. eta vs tors. theta energy: -187.667 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 363 Temperature: 1.100000 Total energy: -1967.633935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1967.633935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1967.633935 (E_RNA) where: Base-Base interactions energy: -1315.457 where: short stacking energy: -561.309 Base-Backbone interact. energy: 1.579 local terms energy: -653.755252 where: bonds (distance) C4'-P energy: -134.056 bonds (distance) P-C4' energy: -133.040 flat angles C4'-P-C4' energy: -130.992 flat angles P-C4'-P energy: -90.726 tors. eta vs tors. theta energy: -164.941 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 363 Temperature: 1.150000 Total energy: -1613.398567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1613.398567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1613.398567 (E_RNA) where: Base-Base interactions energy: -1068.701 where: short stacking energy: -459.104 Base-Backbone interact. energy: 2.626 local terms energy: -547.323362 where: bonds (distance) C4'-P energy: -112.618 bonds (distance) P-C4' energy: -112.835 flat angles C4'-P-C4' energy: -111.097 flat angles P-C4'-P energy: -91.345 tors. eta vs tors. theta energy: -119.429 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 363 Temperature: 1.200000 Total energy: -1093.642036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1093.642036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1093.642036 (E_RNA) where: Base-Base interactions energy: -646.640 where: short stacking energy: -317.191 Base-Backbone interact. energy: 0.667 local terms energy: -447.669158 where: bonds (distance) C4'-P energy: -91.028 bonds (distance) P-C4' energy: -113.831 flat angles C4'-P-C4' energy: -108.809 flat angles P-C4'-P energy: -73.188 tors. eta vs tors. theta energy: -60.813 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 363 Temperature: 1.250000 Total energy: -897.029599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -897.029599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -897.029599 (E_RNA) where: Base-Base interactions energy: -466.754 where: short stacking energy: -228.209 Base-Backbone interact. energy: -0.140 local terms energy: -430.136265 where: bonds (distance) C4'-P energy: -94.606 bonds (distance) P-C4' energy: -108.147 flat angles C4'-P-C4' energy: -95.755 flat angles P-C4'-P energy: -82.921 tors. eta vs tors. theta energy: -48.709 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 363 Temperature: 1.300000 Total energy: -685.438807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -685.438807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -685.438807 (E_RNA) where: Base-Base interactions energy: -314.874 where: short stacking energy: -181.385 Base-Backbone interact. energy: 1.317 local terms energy: -371.881710 where: bonds (distance) C4'-P energy: -93.299 bonds (distance) P-C4' energy: -124.015 flat angles C4'-P-C4' energy: -96.332 flat angles P-C4'-P energy: -69.110 tors. eta vs tors. theta energy: 10.874 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 363 Temperature: 1.350000 Total energy: -466.423410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -466.423410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -466.423410 (E_RNA) where: Base-Base interactions energy: -159.810 where: short stacking energy: -127.732 Base-Backbone interact. energy: 0.176 local terms energy: -306.789906 where: bonds (distance) C4'-P energy: -91.372 bonds (distance) P-C4' energy: -103.113 flat angles C4'-P-C4' energy: -95.945 flat angles P-C4'-P energy: -50.407 tors. eta vs tors. theta energy: 34.048 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 364 Temperature: 0.900000 Total energy: -2224.117799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2224.117799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2224.117799 (E_RNA) where: Base-Base interactions energy: -1499.567 where: short stacking energy: -650.576 Base-Backbone interact. energy: -2.197 local terms energy: -722.353825 where: bonds (distance) C4'-P energy: -139.774 bonds (distance) P-C4' energy: -124.189 flat angles C4'-P-C4' energy: -153.444 flat angles P-C4'-P energy: -100.806 tors. eta vs tors. theta energy: -204.141 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 364 Temperature: 0.950000 Total energy: -2237.093994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2237.093994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2237.093994 (E_RNA) where: Base-Base interactions energy: -1539.250 where: short stacking energy: -617.315 Base-Backbone interact. energy: -1.184 local terms energy: -696.660456 where: bonds (distance) C4'-P energy: -130.129 bonds (distance) P-C4' energy: -133.921 flat angles C4'-P-C4' energy: -145.389 flat angles P-C4'-P energy: -91.274 tors. eta vs tors. theta energy: -195.947 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: 3, replica: 2 ===================================== Write number: 364 Temperature: 1.000000 Total energy: -2157.760341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2157.760341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2157.760341 (E_RNA) where: Base-Base interactions energy: -1486.730 where: short stacking energy: -607.631 Base-Backbone interact. energy: -2.707 local terms energy: -668.322405 where: bonds (distance) C4'-P energy: -110.569 bonds (distance) P-C4' energy: -125.492 flat angles C4'-P-C4' energy: -129.582 flat angles P-C4'-P energy: -105.515 tors. eta vs tors. theta energy: -197.165 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: 7 ===================================== Write number: 364 Temperature: 1.050000 Total energy: -1981.964623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1981.964623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1981.964623 (E_RNA) where: Base-Base interactions energy: -1345.348 where: short stacking energy: -549.478 Base-Backbone interact. energy: -1.735 local terms energy: -634.881435 where: bonds (distance) C4'-P energy: -118.959 bonds (distance) P-C4' energy: -129.135 flat angles C4'-P-C4' energy: -123.216 flat angles P-C4'-P energy: -90.546 tors. eta vs tors. theta energy: -173.025 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 364 Temperature: 1.100000 Total energy: -1917.655390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1917.655390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1917.655390 (E_RNA) where: Base-Base interactions energy: -1294.474 where: short stacking energy: -560.012 Base-Backbone interact. energy: -2.200 local terms energy: -620.981039 where: bonds (distance) C4'-P energy: -111.128 bonds (distance) P-C4' energy: -120.496 flat angles C4'-P-C4' energy: -138.733 flat angles P-C4'-P energy: -79.867 tors. eta vs tors. theta energy: -170.757 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: 10 ===================================== Write number: 364 Temperature: 1.150000 Total energy: -1583.467508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1583.467508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1583.467508 (E_RNA) where: Base-Base interactions energy: -1015.495 where: short stacking energy: -449.685 Base-Backbone interact. energy: 1.496 local terms energy: -569.468469 where: bonds (distance) C4'-P energy: -110.420 bonds (distance) P-C4' energy: -123.603 flat angles C4'-P-C4' energy: -128.503 flat angles P-C4'-P energy: -80.056 tors. eta vs tors. theta energy: -126.886 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: 1 ===================================== Write number: 364 Temperature: 1.200000 Total energy: -1104.687403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1104.687403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1104.687403 (E_RNA) where: Base-Base interactions energy: -652.105 where: short stacking energy: -305.505 Base-Backbone interact. energy: 0.846 local terms energy: -454.089494 where: bonds (distance) C4'-P energy: -102.216 bonds (distance) P-C4' energy: -134.138 flat angles C4'-P-C4' energy: -108.354 flat angles P-C4'-P energy: -56.042 tors. eta vs tors. theta energy: -53.340 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.661 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 364 Temperature: 1.250000 Total energy: -911.161157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -911.161157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -911.161157 (E_RNA) where: Base-Base interactions energy: -474.238 where: short stacking energy: -232.280 Base-Backbone interact. energy: 2.830 local terms energy: -439.753661 where: bonds (distance) C4'-P energy: -118.131 bonds (distance) P-C4' energy: -125.782 flat angles C4'-P-C4' energy: -112.167 flat angles P-C4'-P energy: -66.425 tors. eta vs tors. theta energy: -17.250 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: 9 ===================================== Write number: 364 Temperature: 1.300000 Total energy: -667.463400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -667.463400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -667.463400 (E_RNA) where: Base-Base interactions energy: -303.593 where: short stacking energy: -183.805 Base-Backbone interact. energy: -0.769 local terms energy: -363.102275 where: bonds (distance) C4'-P energy: -103.716 bonds (distance) P-C4' energy: -101.336 flat angles C4'-P-C4' energy: -104.302 flat angles P-C4'-P energy: -58.562 tors. eta vs tors. theta energy: 4.815 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 364 Temperature: 1.350000 Total energy: -482.198072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -482.198072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -482.198072 (E_RNA) where: Base-Base interactions energy: -157.335 where: short stacking energy: -111.361 Base-Backbone interact. energy: 3.032 local terms energy: -327.895188 where: bonds (distance) C4'-P energy: -90.776 bonds (distance) P-C4' energy: -119.728 flat angles C4'-P-C4' energy: -96.460 flat angles P-C4'-P energy: -54.520 tors. eta vs tors. theta energy: 33.590 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: 6 ===================================== Write number: 365 Temperature: 0.900000 Total energy: -2221.337538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2221.337538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2221.337538 (E_RNA) where: Base-Base interactions energy: -1488.005 where: short stacking energy: -647.662 Base-Backbone interact. energy: -1.067 local terms energy: -732.264923 where: bonds (distance) C4'-P energy: -125.312 bonds (distance) P-C4' energy: -142.083 flat angles C4'-P-C4' energy: -158.245 flat angles P-C4'-P energy: -94.089 tors. eta vs tors. theta energy: -212.536 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 365 Temperature: 0.950000 Total energy: -2201.142642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2201.142642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2201.142642 (E_RNA) where: Base-Base interactions energy: -1489.879 where: short stacking energy: -647.543 Base-Backbone interact. energy: 0.910 local terms energy: -712.174059 where: bonds (distance) C4'-P energy: -137.863 bonds (distance) P-C4' energy: -128.642 flat angles C4'-P-C4' energy: -152.873 flat angles P-C4'-P energy: -93.642 tors. eta vs tors. theta energy: -199.154 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: 8 ===================================== Write number: 365 Temperature: 1.000000 Total energy: -2194.406487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2194.406487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2194.406487 (E_RNA) where: Base-Base interactions energy: -1510.254 where: short stacking energy: -609.958 Base-Backbone interact. energy: 0.204 local terms energy: -684.356477 where: bonds (distance) C4'-P energy: -120.283 bonds (distance) P-C4' energy: -121.528 flat angles C4'-P-C4' energy: -136.650 flat angles P-C4'-P energy: -103.843 tors. eta vs tors. theta energy: -202.052 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 365 Temperature: 1.050000 Total energy: -1964.639092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1964.639092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1964.639092 (E_RNA) where: Base-Base interactions energy: -1323.834 where: short stacking energy: -540.902 Base-Backbone interact. energy: 1.092 local terms energy: -641.896941 where: bonds (distance) C4'-P energy: -124.953 bonds (distance) P-C4' energy: -106.935 flat angles C4'-P-C4' energy: -144.516 flat angles P-C4'-P energy: -96.278 tors. eta vs tors. theta energy: -169.215 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 365 Temperature: 1.100000 Total energy: -1903.680100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1903.680100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1903.680100 (E_RNA) where: Base-Base interactions energy: -1281.578 where: short stacking energy: -548.275 Base-Backbone interact. energy: 1.514 local terms energy: -623.615942 where: bonds (distance) C4'-P energy: -110.762 bonds (distance) P-C4' energy: -125.208 flat angles C4'-P-C4' energy: -130.169 flat angles P-C4'-P energy: -84.515 tors. eta vs tors. theta energy: -172.962 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: 10 ===================================== Write number: 365 Temperature: 1.150000 Total energy: -1521.546801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1521.546801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1521.546801 (E_RNA) where: Base-Base interactions energy: -988.371 where: short stacking energy: -438.487 Base-Backbone interact. energy: 1.186 local terms energy: -534.360948 where: bonds (distance) C4'-P energy: -116.043 bonds (distance) P-C4' energy: -113.249 flat angles C4'-P-C4' energy: -111.040 flat angles P-C4'-P energy: -61.926 tors. eta vs tors. theta energy: -132.103 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: 1 ===================================== Write number: 365 Temperature: 1.200000 Total energy: -1088.530805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1088.530805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1088.530805 (E_RNA) where: Base-Base interactions energy: -645.578 where: short stacking energy: -299.962 Base-Backbone interact. energy: -0.802 local terms energy: -442.150730 where: bonds (distance) C4'-P energy: -88.946 bonds (distance) P-C4' energy: -123.150 flat angles C4'-P-C4' energy: -109.903 flat angles P-C4'-P energy: -79.297 tors. eta vs tors. theta energy: -40.855 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: 3 ===================================== Write number: 365 Temperature: 1.250000 Total energy: -838.162948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -838.162948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -838.162948 (E_RNA) where: Base-Base interactions energy: -422.376 where: short stacking energy: -253.807 Base-Backbone interact. energy: -1.517 local terms energy: -414.269730 where: bonds (distance) C4'-P energy: -90.375 bonds (distance) P-C4' energy: -129.026 flat angles C4'-P-C4' energy: -125.990 flat angles P-C4'-P energy: -51.633 tors. eta vs tors. theta energy: -17.245 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 365 Temperature: 1.300000 Total energy: -710.538532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -710.538532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -710.538532 (E_RNA) where: Base-Base interactions energy: -327.878 where: short stacking energy: -190.036 Base-Backbone interact. energy: -1.586 local terms energy: -381.074791 where: bonds (distance) C4'-P energy: -127.023 bonds (distance) P-C4' energy: -114.692 flat angles C4'-P-C4' energy: -69.558 flat angles P-C4'-P energy: -63.551 tors. eta vs tors. theta energy: -6.251 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 365 Temperature: 1.350000 Total energy: -493.274939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -493.274939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -493.274939 (E_RNA) where: Base-Base interactions energy: -175.146 where: short stacking energy: -135.788 Base-Backbone interact. energy: 0.332 local terms energy: -318.461021 where: bonds (distance) C4'-P energy: -84.124 bonds (distance) P-C4' energy: -122.065 flat angles C4'-P-C4' energy: -87.246 flat angles P-C4'-P energy: -53.841 tors. eta vs tors. theta energy: 28.814 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: 6 ===================================== Write number: 366 Temperature: 0.900000 Total energy: -2234.925218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2234.925218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2234.925218 (E_RNA) where: Base-Base interactions energy: -1485.033 where: short stacking energy: -652.884 Base-Backbone interact. energy: -2.882 local terms energy: -747.009633 where: bonds (distance) C4'-P energy: -140.039 bonds (distance) P-C4' energy: -130.318 flat angles C4'-P-C4' energy: -153.471 flat angles P-C4'-P energy: -109.243 tors. eta vs tors. theta energy: -213.938 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 366 Temperature: 0.950000 Total energy: -2216.649792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2216.649792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2216.649792 (E_RNA) where: Base-Base interactions energy: -1506.668 where: short stacking energy: -638.010 Base-Backbone interact. energy: -1.885 local terms energy: -708.097562 where: bonds (distance) C4'-P energy: -133.301 bonds (distance) P-C4' energy: -122.361 flat angles C4'-P-C4' energy: -147.566 flat angles P-C4'-P energy: -95.171 tors. eta vs tors. theta energy: -209.698 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: 8 ===================================== Write number: 366 Temperature: 1.000000 Total energy: -2130.815793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2130.815793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2130.815793 (E_RNA) where: Base-Base interactions energy: -1453.249 where: short stacking energy: -601.281 Base-Backbone interact. energy: -0.425 local terms energy: -677.141517 where: bonds (distance) C4'-P energy: -123.339 bonds (distance) P-C4' energy: -119.784 flat angles C4'-P-C4' energy: -151.500 flat angles P-C4'-P energy: -83.254 tors. eta vs tors. theta energy: -199.264 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: 7 ===================================== Write number: 366 Temperature: 1.050000 Total energy: -1997.345327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1997.345327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1997.345327 (E_RNA) where: Base-Base interactions energy: -1364.899 where: short stacking energy: -547.734 Base-Backbone interact. energy: -0.555 local terms energy: -631.891492 where: bonds (distance) C4'-P energy: -120.194 bonds (distance) P-C4' energy: -113.078 flat angles C4'-P-C4' energy: -139.557 flat angles P-C4'-P energy: -90.423 tors. eta vs tors. theta energy: -168.639 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 366 Temperature: 1.100000 Total energy: -1931.806341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1931.806341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1931.806341 (E_RNA) where: Base-Base interactions energy: -1286.227 where: short stacking energy: -536.055 Base-Backbone interact. energy: -3.053 local terms energy: -642.526266 where: bonds (distance) C4'-P energy: -120.199 bonds (distance) P-C4' energy: -119.203 flat angles C4'-P-C4' energy: -140.924 flat angles P-C4'-P energy: -88.872 tors. eta vs tors. theta energy: -173.328 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: 10 ===================================== Write number: 366 Temperature: 1.150000 Total energy: -1649.067557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1649.067557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1649.067557 (E_RNA) where: Base-Base interactions energy: -1078.405 where: short stacking energy: -452.358 Base-Backbone interact. energy: -2.500 local terms energy: -568.162292 where: bonds (distance) C4'-P energy: -106.610 bonds (distance) P-C4' energy: -116.052 flat angles C4'-P-C4' energy: -137.446 flat angles P-C4'-P energy: -73.390 tors. eta vs tors. theta energy: -134.663 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 366 Temperature: 1.200000 Total energy: -1056.730485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1056.730485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1056.730485 (E_RNA) where: Base-Base interactions energy: -621.416 where: short stacking energy: -289.865 Base-Backbone interact. energy: 5.929 local terms energy: -441.244014 where: bonds (distance) C4'-P energy: -116.069 bonds (distance) P-C4' energy: -124.794 flat angles C4'-P-C4' energy: -104.598 flat angles P-C4'-P energy: -57.532 tors. eta vs tors. theta energy: -38.252 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: 3 ===================================== Write number: 366 Temperature: 1.250000 Total energy: -903.308351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -903.308351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -903.308351 (E_RNA) where: Base-Base interactions energy: -462.987 where: short stacking energy: -247.838 Base-Backbone interact. energy: 2.047 local terms energy: -442.368365 where: bonds (distance) C4'-P energy: -111.264 bonds (distance) P-C4' energy: -122.939 flat angles C4'-P-C4' energy: -109.457 flat angles P-C4'-P energy: -65.592 tors. eta vs tors. theta energy: -33.116 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 366 Temperature: 1.300000 Total energy: -683.150382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -683.150382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -683.150382 (E_RNA) where: Base-Base interactions energy: -291.819 where: short stacking energy: -179.289 Base-Backbone interact. energy: -0.797 local terms energy: -390.534072 where: bonds (distance) C4'-P energy: -109.278 bonds (distance) P-C4' energy: -120.074 flat angles C4'-P-C4' energy: -81.218 flat angles P-C4'-P energy: -71.538 tors. eta vs tors. theta energy: -8.426 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 366 Temperature: 1.350000 Total energy: -493.743991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -493.743991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -493.743991 (E_RNA) where: Base-Base interactions energy: -162.370 where: short stacking energy: -126.036 Base-Backbone interact. energy: 0.099 local terms energy: -331.473317 where: bonds (distance) C4'-P energy: -82.131 bonds (distance) P-C4' energy: -112.742 flat angles C4'-P-C4' energy: -92.813 flat angles P-C4'-P energy: -65.682 tors. eta vs tors. theta energy: 21.895 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 367 Temperature: 0.900000 Total energy: -2230.557014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2230.557014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2230.557014 (E_RNA) where: Base-Base interactions energy: -1520.875 where: short stacking energy: -646.402 Base-Backbone interact. energy: 1.306 local terms energy: -710.988773 where: bonds (distance) C4'-P energy: -119.019 bonds (distance) P-C4' energy: -147.690 flat angles C4'-P-C4' energy: -140.284 flat angles P-C4'-P energy: -105.592 tors. eta vs tors. theta energy: -198.403 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: 8 ===================================== Write number: 367 Temperature: 0.950000 Total energy: -2234.000615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2234.000615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2234.000615 (E_RNA) where: Base-Base interactions energy: -1529.405 where: short stacking energy: -637.220 Base-Backbone interact. energy: -0.962 local terms energy: -703.633797 where: bonds (distance) C4'-P energy: -133.882 bonds (distance) P-C4' energy: -117.267 flat angles C4'-P-C4' energy: -155.649 flat angles P-C4'-P energy: -102.822 tors. eta vs tors. theta energy: -194.014 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 367 Temperature: 1.000000 Total energy: -2159.478881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2159.478881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2159.478881 (E_RNA) where: Base-Base interactions energy: -1467.845 where: short stacking energy: -614.627 Base-Backbone interact. energy: -1.207 local terms energy: -690.427675 where: bonds (distance) C4'-P energy: -116.594 bonds (distance) P-C4' energy: -131.513 flat angles C4'-P-C4' energy: -140.574 flat angles P-C4'-P energy: -95.488 tors. eta vs tors. theta energy: -206.259 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 367 Temperature: 1.050000 Total energy: -1988.938595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1988.938595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1988.938595 (E_RNA) where: Base-Base interactions energy: -1347.074 where: short stacking energy: -576.536 Base-Backbone interact. energy: 2.251 local terms energy: -644.115382 where: bonds (distance) C4'-P energy: -112.612 bonds (distance) P-C4' energy: -129.621 flat angles C4'-P-C4' energy: -126.659 flat angles P-C4'-P energy: -92.050 tors. eta vs tors. theta energy: -183.173 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: 7 ===================================== Write number: 367 Temperature: 1.100000 Total energy: -1940.668149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1940.668149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1940.668149 (E_RNA) where: Base-Base interactions energy: -1336.685 where: short stacking energy: -541.271 Base-Backbone interact. energy: -0.406 local terms energy: -603.577217 where: bonds (distance) C4'-P energy: -114.864 bonds (distance) P-C4' energy: -106.798 flat angles C4'-P-C4' energy: -130.347 flat angles P-C4'-P energy: -76.609 tors. eta vs tors. theta energy: -174.959 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: 10 ===================================== Write number: 367 Temperature: 1.150000 Total energy: -1669.612955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1669.612955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1669.612955 (E_RNA) where: Base-Base interactions energy: -1092.727 where: short stacking energy: -464.673 Base-Backbone interact. energy: 0.975 local terms energy: -577.861165 where: bonds (distance) C4'-P energy: -133.350 bonds (distance) P-C4' energy: -113.191 flat angles C4'-P-C4' energy: -128.503 flat angles P-C4'-P energy: -79.806 tors. eta vs tors. theta energy: -123.011 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: 1 ===================================== Write number: 367 Temperature: 1.200000 Total energy: -1118.991590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1118.991590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1118.991590 (E_RNA) where: Base-Base interactions energy: -664.374 where: short stacking energy: -305.273 Base-Backbone interact. energy: 3.064 local terms energy: -458.378249 where: bonds (distance) C4'-P energy: -107.016 bonds (distance) P-C4' energy: -120.768 flat angles C4'-P-C4' energy: -112.303 flat angles P-C4'-P energy: -66.001 tors. eta vs tors. theta energy: -52.290 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.697 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 367 Temperature: 1.250000 Total energy: -853.066443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -853.066443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -853.066443 (E_RNA) where: Base-Base interactions energy: -474.255 where: short stacking energy: -248.856 Base-Backbone interact. energy: 0.531 local terms energy: -379.342213 where: bonds (distance) C4'-P energy: -102.878 bonds (distance) P-C4' energy: -109.622 flat angles C4'-P-C4' energy: -104.360 flat angles P-C4'-P energy: -51.170 tors. eta vs tors. theta energy: -11.312 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 367 Temperature: 1.300000 Total energy: -678.402732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -678.402732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -678.402732 (E_RNA) where: Base-Base interactions energy: -302.432 where: short stacking energy: -171.241 Base-Backbone interact. energy: 1.466 local terms energy: -377.436774 where: bonds (distance) C4'-P energy: -122.770 bonds (distance) P-C4' energy: -115.607 flat angles C4'-P-C4' energy: -96.710 flat angles P-C4'-P energy: -54.818 tors. eta vs tors. theta energy: 12.469 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 367 Temperature: 1.350000 Total energy: -509.916891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -509.916891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -509.916891 (E_RNA) where: Base-Base interactions energy: -159.267 where: short stacking energy: -115.398 Base-Backbone interact. energy: -0.364 local terms energy: -350.285743 where: bonds (distance) C4'-P energy: -112.336 bonds (distance) P-C4' energy: -113.577 flat angles C4'-P-C4' energy: -92.818 flat angles P-C4'-P energy: -53.984 tors. eta vs tors. theta energy: 22.429 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: 1, replica: 6 ===================================== Write number: 368 Temperature: 0.900000 Total energy: -2260.169308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2260.169308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2260.169308 (E_RNA) where: Base-Base interactions energy: -1508.779 where: short stacking energy: -669.411 Base-Backbone interact. energy: -2.560 local terms energy: -748.830515 where: bonds (distance) C4'-P energy: -145.316 bonds (distance) P-C4' energy: -137.127 flat angles C4'-P-C4' energy: -152.268 flat angles P-C4'-P energy: -99.459 tors. eta vs tors. theta energy: -214.660 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: 8 ===================================== Write number: 368 Temperature: 0.950000 Total energy: -2235.306326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2235.306326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2235.306326 (E_RNA) where: Base-Base interactions energy: -1524.744 where: short stacking energy: -631.695 Base-Backbone interact. energy: -0.635 local terms energy: -709.927285 where: bonds (distance) C4'-P energy: -133.895 bonds (distance) P-C4' energy: -127.639 flat angles C4'-P-C4' energy: -148.575 flat angles P-C4'-P energy: -105.721 tors. eta vs tors. theta energy: -194.098 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: 2 ===================================== Write number: 368 Temperature: 1.000000 Total energy: -2140.182009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2140.182009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2140.182009 (E_RNA) where: Base-Base interactions energy: -1457.868 where: short stacking energy: -608.879 Base-Backbone interact. energy: -3.338 local terms energy: -678.976442 where: bonds (distance) C4'-P energy: -131.191 bonds (distance) P-C4' energy: -139.318 flat angles C4'-P-C4' energy: -129.829 flat angles P-C4'-P energy: -79.621 tors. eta vs tors. theta energy: -199.018 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: 4, replica: 5 ===================================== Write number: 368 Temperature: 1.050000 Total energy: -1955.835281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1955.835281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1955.835281 (E_RNA) where: Base-Base interactions energy: -1313.485 where: short stacking energy: -598.387 Base-Backbone interact. energy: -3.720 local terms energy: -638.630493 where: bonds (distance) C4'-P energy: -130.927 bonds (distance) P-C4' energy: -102.671 flat angles C4'-P-C4' energy: -142.067 flat angles P-C4'-P energy: -90.246 tors. eta vs tors. theta energy: -172.719 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 368 Temperature: 1.100000 Total energy: -1886.688920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1886.688920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1886.688920 (E_RNA) where: Base-Base interactions energy: -1257.449 where: short stacking energy: -526.725 Base-Backbone interact. energy: 3.778 local terms energy: -633.018904 where: bonds (distance) C4'-P energy: -128.085 bonds (distance) P-C4' energy: -130.291 flat angles C4'-P-C4' energy: -130.310 flat angles P-C4'-P energy: -79.585 tors. eta vs tors. theta energy: -164.749 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 368 Temperature: 1.150000 Total energy: -1660.094706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1660.094706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1660.094706 (E_RNA) where: Base-Base interactions energy: -1062.046 where: short stacking energy: -476.654 Base-Backbone interact. energy: -1.313 local terms energy: -596.736026 where: bonds (distance) C4'-P energy: -129.698 bonds (distance) P-C4' energy: -115.206 flat angles C4'-P-C4' energy: -133.671 flat angles P-C4'-P energy: -75.872 tors. eta vs tors. theta energy: -142.290 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 368 Temperature: 1.200000 Total energy: -1172.228747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1172.228747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1172.228747 (E_RNA) where: Base-Base interactions energy: -715.286 where: short stacking energy: -322.877 Base-Backbone interact. energy: -3.858 local terms energy: -453.084270 where: bonds (distance) C4'-P energy: -88.104 bonds (distance) P-C4' energy: -129.715 flat angles C4'-P-C4' energy: -116.396 flat angles P-C4'-P energy: -39.251 tors. eta vs tors. theta energy: -79.618 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: 3 ===================================== Write number: 368 Temperature: 1.250000 Total energy: -908.301862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -908.301862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -908.301862 (E_RNA) where: Base-Base interactions energy: -455.891 where: short stacking energy: -234.675 Base-Backbone interact. energy: -1.870 local terms energy: -450.541215 where: bonds (distance) C4'-P energy: -123.512 bonds (distance) P-C4' energy: -123.216 flat angles C4'-P-C4' energy: -103.771 flat angles P-C4'-P energy: -78.174 tors. eta vs tors. theta energy: -21.868 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 368 Temperature: 1.300000 Total energy: -542.306170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -542.306170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -542.306170 (E_RNA) where: Base-Base interactions energy: -182.946 where: short stacking energy: -154.772 Base-Backbone interact. energy: -0.271 local terms energy: -359.089807 where: bonds (distance) C4'-P energy: -104.489 bonds (distance) P-C4' energy: -120.185 flat angles C4'-P-C4' energy: -119.536 flat angles P-C4'-P energy: -32.187 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: 10, replica: 9 ===================================== Write number: 368 Temperature: 1.350000 Total energy: -619.257543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -619.257543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -619.257543 (E_RNA) where: Base-Base interactions energy: -242.408 where: short stacking energy: -134.743 Base-Backbone interact. energy: 5.394 local terms energy: -382.244376 where: bonds (distance) C4'-P energy: -113.714 bonds (distance) P-C4' energy: -106.714 flat angles C4'-P-C4' energy: -112.200 flat angles P-C4'-P energy: -60.437 tors. eta vs tors. theta energy: 10.821 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 369 Temperature: 0.900000 Total energy: -2264.086011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2264.086011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2264.086011 (E_RNA) where: Base-Base interactions energy: -1522.388 where: short stacking energy: -670.850 Base-Backbone interact. energy: -2.668 local terms energy: -739.030308 where: bonds (distance) C4'-P energy: -117.561 bonds (distance) P-C4' energy: -141.840 flat angles C4'-P-C4' energy: -147.939 flat angles P-C4'-P energy: -110.629 tors. eta vs tors. theta energy: -221.061 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: 8 ===================================== Write number: 369 Temperature: 0.950000 Total energy: -2222.934146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2222.934146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2222.934146 (E_RNA) where: Base-Base interactions energy: -1510.154 where: short stacking energy: -625.417 Base-Backbone interact. energy: -2.604 local terms energy: -710.176236 where: bonds (distance) C4'-P energy: -135.849 bonds (distance) P-C4' energy: -121.172 flat angles C4'-P-C4' energy: -162.769 flat angles P-C4'-P energy: -89.154 tors. eta vs tors. theta energy: -201.233 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: 2 ===================================== Write number: 369 Temperature: 1.000000 Total energy: -2167.045114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2167.045114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2167.045114 (E_RNA) where: Base-Base interactions energy: -1465.830 where: short stacking energy: -620.605 Base-Backbone interact. energy: -1.408 local terms energy: -699.807060 where: bonds (distance) C4'-P energy: -123.823 bonds (distance) P-C4' energy: -125.231 flat angles C4'-P-C4' energy: -150.126 flat angles P-C4'-P energy: -104.117 tors. eta vs tors. theta energy: -196.510 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 369 Temperature: 1.050000 Total energy: -1983.532891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1983.532891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1983.532891 (E_RNA) where: Base-Base interactions energy: -1322.624 where: short stacking energy: -563.384 Base-Backbone interact. energy: -0.727 local terms energy: -660.181872 where: bonds (distance) C4'-P energy: -120.288 bonds (distance) P-C4' energy: -134.741 flat angles C4'-P-C4' energy: -125.739 flat angles P-C4'-P energy: -102.747 tors. eta vs tors. theta energy: -176.666 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: 5, replica: 7 ===================================== Write number: 369 Temperature: 1.100000 Total energy: -1888.240184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1888.240184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1888.240184 (E_RNA) where: Base-Base interactions energy: -1259.639 where: short stacking energy: -531.835 Base-Backbone interact. energy: -1.768 local terms energy: -626.833652 where: bonds (distance) C4'-P energy: -103.084 bonds (distance) P-C4' energy: -116.951 flat angles C4'-P-C4' energy: -142.519 flat angles P-C4'-P energy: -92.604 tors. eta vs tors. theta energy: -171.677 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: 10 ===================================== Write number: 369 Temperature: 1.150000 Total energy: -1603.083918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1603.083918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1603.083918 (E_RNA) where: Base-Base interactions energy: -1071.802 where: short stacking energy: -426.555 Base-Backbone interact. energy: 5.216 local terms energy: -536.497916 where: bonds (distance) C4'-P energy: -118.706 bonds (distance) P-C4' energy: -111.018 flat angles C4'-P-C4' energy: -134.122 flat angles P-C4'-P energy: -60.007 tors. eta vs tors. theta energy: -112.644 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 369 Temperature: 1.200000 Total energy: -1190.289351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1190.289351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1190.289351 (E_RNA) where: Base-Base interactions energy: -721.723 where: short stacking energy: -313.720 Base-Backbone interact. energy: -0.549 local terms energy: -468.016694 where: bonds (distance) C4'-P energy: -120.164 bonds (distance) P-C4' energy: -106.442 flat angles C4'-P-C4' energy: -121.630 flat angles P-C4'-P energy: -71.594 tors. eta vs tors. theta energy: -48.187 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 369 Temperature: 1.250000 Total energy: -886.615365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -886.615365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -886.615365 (E_RNA) where: Base-Base interactions energy: -491.020 where: short stacking energy: -221.977 Base-Backbone interact. energy: -0.605 local terms energy: -394.990061 where: bonds (distance) C4'-P energy: -114.770 bonds (distance) P-C4' energy: -117.592 flat angles C4'-P-C4' energy: -104.346 flat angles P-C4'-P energy: -48.000 tors. eta vs tors. theta energy: -10.283 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: 4 ===================================== Write number: 369 Temperature: 1.300000 Total energy: -534.528682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -534.528682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -534.528682 (E_RNA) where: Base-Base interactions energy: -200.360 where: short stacking energy: -151.006 Base-Backbone interact. energy: 0.413 local terms energy: -334.581992 where: bonds (distance) C4'-P energy: -112.678 bonds (distance) P-C4' energy: -110.480 flat angles C4'-P-C4' energy: -85.822 flat angles P-C4'-P energy: -32.433 tors. eta vs tors. theta energy: 6.830 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 369 Temperature: 1.350000 Total energy: -594.914659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -594.914659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -594.914659 (E_RNA) where: Base-Base interactions energy: -257.886 where: short stacking energy: -151.605 Base-Backbone interact. energy: 3.166 local terms energy: -340.194881 where: bonds (distance) C4'-P energy: -95.754 bonds (distance) P-C4' energy: -99.082 flat angles C4'-P-C4' energy: -101.341 flat angles P-C4'-P energy: -70.806 tors. eta vs tors. theta energy: 26.787 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 370 Temperature: 0.900000 Total energy: -2252.515871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2252.515871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2252.515871 (E_RNA) where: Base-Base interactions energy: -1503.168 where: short stacking energy: -663.878 Base-Backbone interact. energy: -0.453 local terms energy: -748.895247 where: bonds (distance) C4'-P energy: -128.841 bonds (distance) P-C4' energy: -145.152 flat angles C4'-P-C4' energy: -157.505 flat angles P-C4'-P energy: -98.415 tors. eta vs tors. theta energy: -218.982 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 370 Temperature: 0.950000 Total energy: -2234.855288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2234.855288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2234.855288 (E_RNA) where: Base-Base interactions energy: -1521.958 where: short stacking energy: -614.752 Base-Backbone interact. energy: -1.823 local terms energy: -711.074268 where: bonds (distance) C4'-P energy: -124.951 bonds (distance) P-C4' energy: -131.801 flat angles C4'-P-C4' energy: -150.354 flat angles P-C4'-P energy: -99.853 tors. eta vs tors. theta energy: -204.115 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 370 Temperature: 1.000000 Total energy: -2153.331769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2153.331769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2153.331769 (E_RNA) where: Base-Base interactions energy: -1477.110 where: short stacking energy: -607.126 Base-Backbone interact. energy: -0.942 local terms energy: -675.279571 where: bonds (distance) C4'-P energy: -116.179 bonds (distance) P-C4' energy: -116.895 flat angles C4'-P-C4' energy: -147.148 flat angles P-C4'-P energy: -98.987 tors. eta vs tors. theta energy: -196.070 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 370 Temperature: 1.050000 Total energy: -2000.883395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2000.883395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2000.883395 (E_RNA) where: Base-Base interactions energy: -1331.660 where: short stacking energy: -568.017 Base-Backbone interact. energy: -3.084 local terms energy: -666.139340 where: bonds (distance) C4'-P energy: -135.282 bonds (distance) P-C4' energy: -121.209 flat angles C4'-P-C4' energy: -141.267 flat angles P-C4'-P energy: -95.495 tors. eta vs tors. theta energy: -172.886 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 370 Temperature: 1.100000 Total energy: -1885.889843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1885.889843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1885.889843 (E_RNA) where: Base-Base interactions energy: -1256.101 where: short stacking energy: -520.151 Base-Backbone interact. energy: 0.048 local terms energy: -629.836840 where: bonds (distance) C4'-P energy: -127.578 bonds (distance) P-C4' energy: -108.412 flat angles C4'-P-C4' energy: -137.854 flat angles P-C4'-P energy: -89.838 tors. eta vs tors. theta energy: -166.154 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 370 Temperature: 1.150000 Total energy: -1665.901339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1665.901339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1665.901339 (E_RNA) where: Base-Base interactions energy: -1109.790 where: short stacking energy: -459.579 Base-Backbone interact. energy: -1.305 local terms energy: -554.806476 where: bonds (distance) C4'-P energy: -85.771 bonds (distance) P-C4' energy: -130.536 flat angles C4'-P-C4' energy: -127.176 flat angles P-C4'-P energy: -71.793 tors. eta vs tors. theta energy: -139.531 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 370 Temperature: 1.200000 Total energy: -1214.570168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1214.570168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1214.570168 (E_RNA) where: Base-Base interactions energy: -751.432 where: short stacking energy: -339.836 Base-Backbone interact. energy: -4.658 local terms energy: -458.479904 where: bonds (distance) C4'-P energy: -108.933 bonds (distance) P-C4' energy: -120.510 flat angles C4'-P-C4' energy: -110.151 flat angles P-C4'-P energy: -49.792 tors. eta vs tors. theta energy: -69.094 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 370 Temperature: 1.250000 Total energy: -881.370184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -881.370184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -881.370184 (E_RNA) where: Base-Base interactions energy: -471.522 where: short stacking energy: -228.445 Base-Backbone interact. energy: 0.967 local terms energy: -410.815147 where: bonds (distance) C4'-P energy: -104.641 bonds (distance) P-C4' energy: -96.271 flat angles C4'-P-C4' energy: -117.617 flat angles P-C4'-P energy: -67.142 tors. eta vs tors. theta energy: -25.144 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 370 Temperature: 1.300000 Total energy: -545.773761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -545.773761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -545.773761 (E_RNA) where: Base-Base interactions energy: -188.988 where: short stacking energy: -153.525 Base-Backbone interact. energy: -1.115 local terms energy: -355.670423 where: bonds (distance) C4'-P energy: -111.870 bonds (distance) P-C4' energy: -124.563 flat angles C4'-P-C4' energy: -91.427 flat angles P-C4'-P energy: -42.172 tors. eta vs tors. theta energy: 14.361 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 370 Temperature: 1.350000 Total energy: -584.111161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -584.111161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -584.111161 (E_RNA) where: Base-Base interactions energy: -219.851 where: short stacking energy: -146.298 Base-Backbone interact. energy: 2.011 local terms energy: -366.271912 where: bonds (distance) C4'-P energy: -102.437 bonds (distance) P-C4' energy: -121.561 flat angles C4'-P-C4' energy: -103.361 flat angles P-C4'-P energy: -37.036 tors. eta vs tors. theta energy: -1.876 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 371 Temperature: 0.900000 Total energy: -2235.020470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2235.020470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2235.020470 (E_RNA) where: Base-Base interactions energy: -1508.348 where: short stacking energy: -636.100 Base-Backbone interact. energy: 3.310 local terms energy: -729.982466 where: bonds (distance) C4'-P energy: -139.886 bonds (distance) P-C4' energy: -133.389 flat angles C4'-P-C4' energy: -157.551 flat angles P-C4'-P energy: -94.478 tors. eta vs tors. theta energy: -204.679 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 371 Temperature: 0.950000 Total energy: -2236.997863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2236.997863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2236.997863 (E_RNA) where: Base-Base interactions energy: -1520.126 where: short stacking energy: -633.713 Base-Backbone interact. energy: -1.916 local terms energy: -714.955279 where: bonds (distance) C4'-P energy: -129.626 bonds (distance) P-C4' energy: -137.891 flat angles C4'-P-C4' energy: -150.001 flat angles P-C4'-P energy: -97.572 tors. eta vs tors. theta energy: -199.865 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 371 Temperature: 1.000000 Total energy: -2129.839350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2129.839350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2129.839350 (E_RNA) where: Base-Base interactions energy: -1452.034 where: short stacking energy: -593.224 Base-Backbone interact. energy: -1.246 local terms energy: -676.559164 where: bonds (distance) C4'-P energy: -126.425 bonds (distance) P-C4' energy: -126.604 flat angles C4'-P-C4' energy: -144.489 flat angles P-C4'-P energy: -87.286 tors. eta vs tors. theta energy: -191.754 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 371 Temperature: 1.050000 Total energy: -1993.264539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1993.264539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1993.264539 (E_RNA) where: Base-Base interactions energy: -1329.591 where: short stacking energy: -549.045 Base-Backbone interact. energy: -1.812 local terms energy: -661.861126 where: bonds (distance) C4'-P energy: -131.806 bonds (distance) P-C4' energy: -115.419 flat angles C4'-P-C4' energy: -141.506 flat angles P-C4'-P energy: -90.117 tors. eta vs tors. theta energy: -183.013 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: 7 ===================================== Write number: 371 Temperature: 1.100000 Total energy: -1902.749334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1902.749334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1902.749334 (E_RNA) where: Base-Base interactions energy: -1270.933 where: short stacking energy: -518.664 Base-Backbone interact. energy: -3.875 local terms energy: -627.942156 where: bonds (distance) C4'-P energy: -127.135 bonds (distance) P-C4' energy: -125.106 flat angles C4'-P-C4' energy: -137.202 flat angles P-C4'-P energy: -70.589 tors. eta vs tors. theta energy: -167.909 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 371 Temperature: 1.150000 Total energy: -1676.151433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1676.151433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1676.151433 (E_RNA) where: Base-Base interactions energy: -1097.144 where: short stacking energy: -464.623 Base-Backbone interact. energy: -1.011 local terms energy: -577.995768 where: bonds (distance) C4'-P energy: -108.536 bonds (distance) P-C4' energy: -120.997 flat angles C4'-P-C4' energy: -136.165 flat angles P-C4'-P energy: -82.111 tors. eta vs tors. theta energy: -130.187 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: 1 ===================================== Write number: 371 Temperature: 1.200000 Total energy: -1238.958877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1238.958877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1238.958877 (E_RNA) where: Base-Base interactions energy: -753.742 where: short stacking energy: -346.052 Base-Backbone interact. energy: -0.308 local terms energy: -485.687139 where: bonds (distance) C4'-P energy: -105.483 bonds (distance) P-C4' energy: -119.695 flat angles C4'-P-C4' energy: -110.523 flat angles P-C4'-P energy: -81.373 tors. eta vs tors. theta energy: -68.613 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.779 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 371 Temperature: 1.250000 Total energy: -832.729404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -832.729404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -832.729404 (E_RNA) where: Base-Base interactions energy: -464.942 where: short stacking energy: -224.751 Base-Backbone interact. energy: 1.216 local terms energy: -369.003070 where: bonds (distance) C4'-P energy: -112.475 bonds (distance) P-C4' energy: -115.020 flat angles C4'-P-C4' energy: -85.209 flat angles P-C4'-P energy: -50.847 tors. eta vs tors. theta energy: -5.452 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 371 Temperature: 1.300000 Total energy: -524.771613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -524.771613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -524.771613 (E_RNA) where: Base-Base interactions energy: -168.502 where: short stacking energy: -128.067 Base-Backbone interact. energy: 4.106 local terms energy: -360.375326 where: bonds (distance) C4'-P energy: -113.750 bonds (distance) P-C4' energy: -119.107 flat angles C4'-P-C4' energy: -84.704 flat angles P-C4'-P energy: -66.325 tors. eta vs tors. theta energy: 23.511 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 371 Temperature: 1.350000 Total energy: -580.346851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -580.346851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -580.346851 (E_RNA) where: Base-Base interactions energy: -242.296 where: short stacking energy: -156.933 Base-Backbone interact. energy: 3.757 local terms energy: -341.808600 where: bonds (distance) C4'-P energy: -101.881 bonds (distance) P-C4' energy: -108.047 flat angles C4'-P-C4' energy: -90.074 flat angles P-C4'-P energy: -62.854 tors. eta vs tors. theta energy: 21.048 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: 6 ===================================== Write number: 372 Temperature: 0.900000 Total energy: -2239.035020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2239.035020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2239.035020 (E_RNA) where: Base-Base interactions energy: -1516.241 where: short stacking energy: -658.424 Base-Backbone interact. energy: -2.858 local terms energy: -719.935859 where: bonds (distance) C4'-P energy: -142.235 bonds (distance) P-C4' energy: -131.885 flat angles C4'-P-C4' energy: -155.834 flat angles P-C4'-P energy: -79.786 tors. eta vs tors. theta energy: -210.197 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: 8 ===================================== Write number: 372 Temperature: 0.950000 Total energy: -2191.499845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2191.499845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2191.499845 (E_RNA) where: Base-Base interactions energy: -1480.322 where: short stacking energy: -618.991 Base-Backbone interact. energy: -1.495 local terms energy: -709.683418 where: bonds (distance) C4'-P energy: -128.542 bonds (distance) P-C4' energy: -128.428 flat angles C4'-P-C4' energy: -151.702 flat angles P-C4'-P energy: -101.674 tors. eta vs tors. theta energy: -199.337 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 372 Temperature: 1.000000 Total energy: -2158.378690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2158.378690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2158.378690 (E_RNA) where: Base-Base interactions energy: -1461.365 where: short stacking energy: -598.433 Base-Backbone interact. energy: -1.559 local terms energy: -695.455552 where: bonds (distance) C4'-P energy: -123.855 bonds (distance) P-C4' energy: -133.654 flat angles C4'-P-C4' energy: -142.064 flat angles P-C4'-P energy: -95.863 tors. eta vs tors. theta energy: -200.019 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 372 Temperature: 1.050000 Total energy: -1993.821277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1993.821277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1993.821277 (E_RNA) where: Base-Base interactions energy: -1338.050 where: short stacking energy: -580.323 Base-Backbone interact. energy: 2.248 local terms energy: -658.019382 where: bonds (distance) C4'-P energy: -112.661 bonds (distance) P-C4' energy: -137.731 flat angles C4'-P-C4' energy: -148.355 flat angles P-C4'-P energy: -93.490 tors. eta vs tors. theta energy: -165.783 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: 7 ===================================== Write number: 372 Temperature: 1.100000 Total energy: -1893.504233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1893.504233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1893.504233 (E_RNA) where: Base-Base interactions energy: -1270.242 where: short stacking energy: -512.425 Base-Backbone interact. energy: -2.711 local terms energy: -620.551515 where: bonds (distance) C4'-P energy: -117.446 bonds (distance) P-C4' energy: -127.637 flat angles C4'-P-C4' energy: -143.791 flat angles P-C4'-P energy: -80.349 tors. eta vs tors. theta energy: -151.329 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: 6, replica: 10 ===================================== Write number: 372 Temperature: 1.150000 Total energy: -1650.562279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1650.562279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1650.562279 (E_RNA) where: Base-Base interactions energy: -1098.042 where: short stacking energy: -474.482 Base-Backbone interact. energy: -2.422 local terms energy: -550.098146 where: bonds (distance) C4'-P energy: -101.682 bonds (distance) P-C4' energy: -114.537 flat angles C4'-P-C4' energy: -126.740 flat angles P-C4'-P energy: -81.450 tors. eta vs tors. theta energy: -125.689 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 372 Temperature: 1.200000 Total energy: -1230.156548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1230.156548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1230.156548 (E_RNA) where: Base-Base interactions energy: -759.483 where: short stacking energy: -345.979 Base-Backbone interact. energy: 3.613 local terms energy: -474.286793 where: bonds (distance) C4'-P energy: -113.766 bonds (distance) P-C4' energy: -111.652 flat angles C4'-P-C4' energy: -107.055 flat angles P-C4'-P energy: -84.048 tors. eta vs tors. theta energy: -57.766 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: 8, replica: 3 ===================================== Write number: 372 Temperature: 1.250000 Total energy: -831.771072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -831.771072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -831.771072 (E_RNA) where: Base-Base interactions energy: -441.163 where: short stacking energy: -218.521 Base-Backbone interact. energy: 0.748 local terms energy: -391.356411 where: bonds (distance) C4'-P energy: -104.827 bonds (distance) P-C4' energy: -119.315 flat angles C4'-P-C4' energy: -99.193 flat angles P-C4'-P energy: -56.045 tors. eta vs tors. theta energy: -11.976 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 372 Temperature: 1.300000 Total energy: -583.914387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -583.914387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -583.914387 (E_RNA) where: Base-Base interactions energy: -259.892 where: short stacking energy: -149.981 Base-Backbone interact. energy: -0.346 local terms energy: -323.676453 where: bonds (distance) C4'-P energy: -105.086 bonds (distance) P-C4' energy: -110.825 flat angles C4'-P-C4' energy: -81.795 flat angles P-C4'-P energy: -50.084 tors. eta vs tors. theta energy: 24.114 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 372 Temperature: 1.350000 Total energy: -492.454869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -492.454869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -492.454869 (E_RNA) where: Base-Base interactions energy: -171.363 where: short stacking energy: -121.993 Base-Backbone interact. energy: -1.298 local terms energy: -319.793649 where: bonds (distance) C4'-P energy: -101.854 bonds (distance) P-C4' energy: -113.565 flat angles C4'-P-C4' energy: -83.025 flat angles P-C4'-P energy: -42.507 tors. eta vs tors. theta energy: 21.157 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 373 Temperature: 0.900000 Total energy: -2254.668465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2254.668465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2254.668465 (E_RNA) where: Base-Base interactions energy: -1532.593 where: short stacking energy: -646.913 Base-Backbone interact. energy: -0.147 local terms energy: -721.928555 where: bonds (distance) C4'-P energy: -143.484 bonds (distance) P-C4' energy: -128.035 flat angles C4'-P-C4' energy: -134.732 flat angles P-C4'-P energy: -104.972 tors. eta vs tors. theta energy: -210.705 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: 8 ===================================== Write number: 373 Temperature: 0.950000 Total energy: -2162.277469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2162.277469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2162.277469 (E_RNA) where: Base-Base interactions energy: -1459.273 where: short stacking energy: -592.701 Base-Backbone interact. energy: 0.870 local terms energy: -703.874525 where: bonds (distance) C4'-P energy: -135.738 bonds (distance) P-C4' energy: -142.449 flat angles C4'-P-C4' energy: -148.870 flat angles P-C4'-P energy: -90.694 tors. eta vs tors. theta energy: -186.124 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: 2 ===================================== Write number: 373 Temperature: 1.000000 Total energy: -2187.506509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2187.506509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2187.506509 (E_RNA) where: Base-Base interactions energy: -1485.371 where: short stacking energy: -633.030 Base-Backbone interact. energy: -3.145 local terms energy: -698.990094 where: bonds (distance) C4'-P energy: -118.327 bonds (distance) P-C4' energy: -129.162 flat angles C4'-P-C4' energy: -148.507 flat angles P-C4'-P energy: -97.123 tors. eta vs tors. theta energy: -205.871 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: 5 ===================================== Write number: 373 Temperature: 1.050000 Total energy: -2011.739511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2011.739511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2011.739511 (E_RNA) where: Base-Base interactions energy: -1348.599 where: short stacking energy: -582.456 Base-Backbone interact. energy: -0.696 local terms energy: -662.444278 where: bonds (distance) C4'-P energy: -126.049 bonds (distance) P-C4' energy: -129.792 flat angles C4'-P-C4' energy: -138.199 flat angles P-C4'-P energy: -85.296 tors. eta vs tors. theta energy: -183.107 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 373 Temperature: 1.100000 Total energy: -1874.426488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1874.426488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1874.426488 (E_RNA) where: Base-Base interactions energy: -1245.095 where: short stacking energy: -547.857 Base-Backbone interact. energy: 0.267 local terms energy: -629.598639 where: bonds (distance) C4'-P energy: -103.544 bonds (distance) P-C4' energy: -137.284 flat angles C4'-P-C4' energy: -127.189 flat angles P-C4'-P energy: -93.917 tors. eta vs tors. theta energy: -167.665 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: 10 ===================================== Write number: 373 Temperature: 1.150000 Total energy: -1708.854825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1708.854825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1708.854825 (E_RNA) where: Base-Base interactions energy: -1140.945 where: short stacking energy: -494.001 Base-Backbone interact. energy: -2.711 local terms energy: -565.198708 where: bonds (distance) C4'-P energy: -105.810 bonds (distance) P-C4' energy: -123.712 flat angles C4'-P-C4' energy: -131.809 flat angles P-C4'-P energy: -70.501 tors. eta vs tors. theta energy: -133.367 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: 1 ===================================== Write number: 373 Temperature: 1.200000 Total energy: -1267.662351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1267.662351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1267.662351 (E_RNA) where: Base-Base interactions energy: -768.138 where: short stacking energy: -324.244 Base-Backbone interact. energy: -3.432 local terms energy: -496.092864 where: bonds (distance) C4'-P energy: -118.785 bonds (distance) P-C4' energy: -116.864 flat angles C4'-P-C4' energy: -116.748 flat angles P-C4'-P energy: -69.933 tors. eta vs tors. theta energy: -73.763 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: 3 ===================================== Write number: 373 Temperature: 1.250000 Total energy: -866.914232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -866.914232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -866.914232 (E_RNA) where: Base-Base interactions energy: -461.146 where: short stacking energy: -255.329 Base-Backbone interact. energy: -2.164 local terms energy: -403.603768 where: bonds (distance) C4'-P energy: -111.930 bonds (distance) P-C4' energy: -119.733 flat angles C4'-P-C4' energy: -103.528 flat angles P-C4'-P energy: -52.716 tors. eta vs tors. theta energy: -15.697 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: 9 ===================================== Write number: 373 Temperature: 1.300000 Total energy: -650.113163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.113163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -650.113163 (E_RNA) where: Base-Base interactions energy: -279.568 where: short stacking energy: -165.946 Base-Backbone interact. energy: -1.237 local terms energy: -369.307509 where: bonds (distance) C4'-P energy: -115.001 bonds (distance) P-C4' energy: -112.928 flat angles C4'-P-C4' energy: -94.672 flat angles P-C4'-P energy: -57.983 tors. eta vs tors. theta energy: 11.276 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 373 Temperature: 1.350000 Total energy: -503.562261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -503.562261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -503.562261 (E_RNA) where: Base-Base interactions energy: -165.443 where: short stacking energy: -120.291 Base-Backbone interact. energy: -1.817 local terms energy: -336.301795 where: bonds (distance) C4'-P energy: -117.324 bonds (distance) P-C4' energy: -102.124 flat angles C4'-P-C4' energy: -97.158 flat angles P-C4'-P energy: -46.146 tors. eta vs tors. theta energy: 26.450 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 374 Temperature: 0.900000 Total energy: -2258.295773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2258.295773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2258.295773 (E_RNA) where: Base-Base interactions energy: -1530.785 where: short stacking energy: -634.714 Base-Backbone interact. energy: -1.838 local terms energy: -725.673315 where: bonds (distance) C4'-P energy: -127.331 bonds (distance) P-C4' energy: -143.722 flat angles C4'-P-C4' energy: -152.158 flat angles P-C4'-P energy: -100.735 tors. eta vs tors. theta energy: -201.727 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 374 Temperature: 0.950000 Total energy: -2192.397407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2192.397407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2192.397407 (E_RNA) where: Base-Base interactions energy: -1471.947 where: short stacking energy: -607.743 Base-Backbone interact. energy: -2.266 local terms energy: -718.184411 where: bonds (distance) C4'-P energy: -135.261 bonds (distance) P-C4' energy: -124.622 flat angles C4'-P-C4' energy: -153.368 flat angles P-C4'-P energy: -114.466 tors. eta vs tors. theta energy: -190.467 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: 2 ===================================== Write number: 374 Temperature: 1.000000 Total energy: -2164.900880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2164.900880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2164.900880 (E_RNA) where: Base-Base interactions energy: -1462.883 where: short stacking energy: -609.900 Base-Backbone interact. energy: 1.799 local terms energy: -703.817838 where: bonds (distance) C4'-P energy: -119.504 bonds (distance) P-C4' energy: -135.875 flat angles C4'-P-C4' energy: -140.095 flat angles P-C4'-P energy: -103.692 tors. eta vs tors. theta energy: -204.653 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: 5 ===================================== Write number: 374 Temperature: 1.050000 Total energy: -2003.890781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2003.890781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2003.890781 (E_RNA) where: Base-Base interactions energy: -1337.053 where: short stacking energy: -563.488 Base-Backbone interact. energy: -1.372 local terms energy: -665.465599 where: bonds (distance) C4'-P energy: -116.579 bonds (distance) P-C4' energy: -134.217 flat angles C4'-P-C4' energy: -140.169 flat angles P-C4'-P energy: -92.816 tors. eta vs tors. theta energy: -181.684 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 374 Temperature: 1.100000 Total energy: -1887.882214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1887.882214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1887.882214 (E_RNA) where: Base-Base interactions energy: -1295.242 where: short stacking energy: -536.462 Base-Backbone interact. energy: -1.078 local terms energy: -591.562211 where: bonds (distance) C4'-P energy: -104.807 bonds (distance) P-C4' energy: -106.420 flat angles C4'-P-C4' energy: -128.353 flat angles P-C4'-P energy: -88.755 tors. eta vs tors. theta energy: -163.227 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: 10 ===================================== Write number: 374 Temperature: 1.150000 Total energy: -1698.706915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1698.706915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1698.706915 (E_RNA) where: Base-Base interactions energy: -1125.670 where: short stacking energy: -469.921 Base-Backbone interact. energy: -0.566 local terms energy: -572.470092 where: bonds (distance) C4'-P energy: -111.221 bonds (distance) P-C4' energy: -121.109 flat angles C4'-P-C4' energy: -125.044 flat angles P-C4'-P energy: -76.289 tors. eta vs tors. theta energy: -138.807 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: 1 ===================================== Write number: 374 Temperature: 1.200000 Total energy: -1275.042211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1275.042211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1275.042211 (E_RNA) where: Base-Base interactions energy: -785.038 where: short stacking energy: -357.024 Base-Backbone interact. energy: -1.762 local terms energy: -488.242379 where: bonds (distance) C4'-P energy: -100.298 bonds (distance) P-C4' energy: -136.659 flat angles C4'-P-C4' energy: -102.181 flat angles P-C4'-P energy: -73.637 tors. eta vs tors. theta energy: -75.468 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 374 Temperature: 1.250000 Total energy: -881.200386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -881.200386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -881.200386 (E_RNA) where: Base-Base interactions energy: -461.770 where: short stacking energy: -228.259 Base-Backbone interact. energy: -5.020 local terms energy: -414.410915 where: bonds (distance) C4'-P energy: -110.671 bonds (distance) P-C4' energy: -121.852 flat angles C4'-P-C4' energy: -99.825 flat angles P-C4'-P energy: -49.761 tors. eta vs tors. theta energy: -32.302 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 374 Temperature: 1.300000 Total energy: -626.696986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -626.696986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -626.696986 (E_RNA) where: Base-Base interactions energy: -266.489 where: short stacking energy: -161.146 Base-Backbone interact. energy: 3.499 local terms energy: -363.706822 where: bonds (distance) C4'-P energy: -105.188 bonds (distance) P-C4' energy: -110.261 flat angles C4'-P-C4' energy: -95.817 flat angles P-C4'-P energy: -66.364 tors. eta vs tors. theta energy: 13.923 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: 4 ===================================== Write number: 374 Temperature: 1.350000 Total energy: -497.950933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -497.950933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -497.950933 (E_RNA) where: Base-Base interactions energy: -136.226 where: short stacking energy: -105.393 Base-Backbone interact. energy: -2.871 local terms energy: -358.853491 where: bonds (distance) C4'-P energy: -110.470 bonds (distance) P-C4' energy: -122.202 flat angles C4'-P-C4' energy: -94.873 flat angles P-C4'-P energy: -53.312 tors. eta vs tors. theta energy: 22.004 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 375 Temperature: 0.900000 Total energy: -2261.611244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2261.611244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2261.611244 (E_RNA) where: Base-Base interactions energy: -1518.723 where: short stacking energy: -646.313 Base-Backbone interact. energy: -3.129 local terms energy: -739.759202 where: bonds (distance) C4'-P energy: -142.142 bonds (distance) P-C4' energy: -131.359 flat angles C4'-P-C4' energy: -147.059 flat angles P-C4'-P energy: -111.296 tors. eta vs tors. theta energy: -207.904 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 375 Temperature: 0.950000 Total energy: -2211.446772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2211.446772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2211.446772 (E_RNA) where: Base-Base interactions energy: -1509.498 where: short stacking energy: -636.147 Base-Backbone interact. energy: 1.174 local terms energy: -703.122589 where: bonds (distance) C4'-P energy: -126.417 bonds (distance) P-C4' energy: -125.832 flat angles C4'-P-C4' energy: -151.315 flat angles P-C4'-P energy: -102.696 tors. eta vs tors. theta energy: -196.863 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: 2 ===================================== Write number: 375 Temperature: 1.000000 Total energy: -2151.397860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2151.397860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2151.397860 (E_RNA) where: Base-Base interactions energy: -1454.425 where: short stacking energy: -611.222 Base-Backbone interact. energy: 0.820 local terms energy: -697.792926 where: bonds (distance) C4'-P energy: -125.783 bonds (distance) P-C4' energy: -138.453 flat angles C4'-P-C4' energy: -145.101 flat angles P-C4'-P energy: -92.758 tors. eta vs tors. theta energy: -195.698 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: 4, replica: 5 ===================================== Write number: 375 Temperature: 1.050000 Total energy: -2017.758457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2017.758457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2017.758457 (E_RNA) where: Base-Base interactions energy: -1375.392 where: short stacking energy: -588.052 Base-Backbone interact. energy: 6.945 local terms energy: -649.311627 where: bonds (distance) C4'-P energy: -111.657 bonds (distance) P-C4' energy: -131.794 flat angles C4'-P-C4' energy: -139.251 flat angles P-C4'-P energy: -86.404 tors. eta vs tors. theta energy: -180.207 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 375 Temperature: 1.100000 Total energy: -1912.352968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1912.352968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1912.352968 (E_RNA) where: Base-Base interactions energy: -1285.300 where: short stacking energy: -548.439 Base-Backbone interact. energy: -3.677 local terms energy: -623.376234 where: bonds (distance) C4'-P energy: -112.015 bonds (distance) P-C4' energy: -119.440 flat angles C4'-P-C4' energy: -139.364 flat angles P-C4'-P energy: -79.829 tors. eta vs tors. theta energy: -172.728 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: 10 ===================================== Write number: 375 Temperature: 1.150000 Total energy: -1700.273156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1700.273156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1700.273156 (E_RNA) where: Base-Base interactions energy: -1137.000 where: short stacking energy: -486.357 Base-Backbone interact. energy: 0.570 local terms energy: -563.843223 where: bonds (distance) C4'-P energy: -116.714 bonds (distance) P-C4' energy: -125.057 flat angles C4'-P-C4' energy: -123.038 flat angles P-C4'-P energy: -64.219 tors. eta vs tors. theta energy: -134.815 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: 1 ===================================== Write number: 375 Temperature: 1.200000 Total energy: -1235.408745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1235.408745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1235.408745 (E_RNA) where: Base-Base interactions energy: -747.490 where: short stacking energy: -341.986 Base-Backbone interact. energy: -3.947 local terms energy: -484.332299 where: bonds (distance) C4'-P energy: -119.469 bonds (distance) P-C4' energy: -109.403 flat angles C4'-P-C4' energy: -108.831 flat angles P-C4'-P energy: -84.946 tors. eta vs tors. theta energy: -61.684 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.361 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 375 Temperature: 1.250000 Total energy: -957.821139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -957.821139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -957.821139 (E_RNA) where: Base-Base interactions energy: -525.373 where: short stacking energy: -246.673 Base-Backbone interact. energy: -4.367 local terms energy: -428.080861 where: bonds (distance) C4'-P energy: -97.686 bonds (distance) P-C4' energy: -100.981 flat angles C4'-P-C4' energy: -119.990 flat angles P-C4'-P energy: -79.570 tors. eta vs tors. theta energy: -29.854 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 375 Temperature: 1.300000 Total energy: -635.775227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -635.775227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -635.775227 (E_RNA) where: Base-Base interactions energy: -290.136 where: short stacking energy: -180.065 Base-Backbone interact. energy: -1.106 local terms energy: -344.532953 where: bonds (distance) C4'-P energy: -88.289 bonds (distance) P-C4' energy: -113.998 flat angles C4'-P-C4' energy: -108.789 flat angles P-C4'-P energy: -40.949 tors. eta vs tors. theta energy: 7.492 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 375 Temperature: 1.350000 Total energy: -503.565900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -503.565900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -503.565900 (E_RNA) where: Base-Base interactions energy: -153.602 where: short stacking energy: -124.087 Base-Backbone interact. energy: 5.087 local terms energy: -355.051366 where: bonds (distance) C4'-P energy: -102.878 bonds (distance) P-C4' energy: -125.533 flat angles C4'-P-C4' energy: -105.737 flat angles P-C4'-P energy: -47.494 tors. eta vs tors. theta energy: 26.590 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: 6 ===================================== Write number: 376 Temperature: 0.900000 Total energy: -2222.760579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2222.760579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2222.760579 (E_RNA) where: Base-Base interactions energy: -1495.919 where: short stacking energy: -645.631 Base-Backbone interact. energy: 0.667 local terms energy: -727.508564 where: bonds (distance) C4'-P energy: -133.559 bonds (distance) P-C4' energy: -136.755 flat angles C4'-P-C4' energy: -147.352 flat angles P-C4'-P energy: -106.613 tors. eta vs tors. theta energy: -203.230 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 376 Temperature: 0.950000 Total energy: -2202.625119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2202.625119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2202.625119 (E_RNA) where: Base-Base interactions energy: -1526.468 where: short stacking energy: -603.384 Base-Backbone interact. energy: -2.759 local terms energy: -673.397852 where: bonds (distance) C4'-P energy: -117.263 bonds (distance) P-C4' energy: -128.516 flat angles C4'-P-C4' energy: -144.873 flat angles P-C4'-P energy: -85.625 tors. eta vs tors. theta energy: -197.121 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: 3, replica: 2 ===================================== Write number: 376 Temperature: 1.000000 Total energy: -2180.240599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2180.240599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2180.240599 (E_RNA) where: Base-Base interactions energy: -1470.719 where: short stacking energy: -623.884 Base-Backbone interact. energy: -0.960 local terms energy: -708.560619 where: bonds (distance) C4'-P energy: -126.116 bonds (distance) P-C4' energy: -129.731 flat angles C4'-P-C4' energy: -148.395 flat angles P-C4'-P energy: -97.364 tors. eta vs tors. theta energy: -206.955 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 376 Temperature: 1.050000 Total energy: -1974.980236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1974.980236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1974.980236 (E_RNA) where: Base-Base interactions energy: -1334.616 where: short stacking energy: -541.741 Base-Backbone interact. energy: -0.754 local terms energy: -639.610083 where: bonds (distance) C4'-P energy: -114.140 bonds (distance) P-C4' energy: -131.073 flat angles C4'-P-C4' energy: -132.652 flat angles P-C4'-P energy: -88.141 tors. eta vs tors. theta energy: -173.604 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 376 Temperature: 1.100000 Total energy: -1914.694429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1914.694429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1914.694429 (E_RNA) where: Base-Base interactions energy: -1260.762 where: short stacking energy: -521.480 Base-Backbone interact. energy: -1.960 local terms energy: -651.971959 where: bonds (distance) C4'-P energy: -127.709 bonds (distance) P-C4' energy: -118.636 flat angles C4'-P-C4' energy: -139.434 flat angles P-C4'-P energy: -92.915 tors. eta vs tors. theta energy: -173.277 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: 10 ===================================== Write number: 376 Temperature: 1.150000 Total energy: -1667.839172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1667.839172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1667.839172 (E_RNA) where: Base-Base interactions energy: -1108.894 where: short stacking energy: -454.087 Base-Backbone interact. energy: -0.540 local terms energy: -558.405810 where: bonds (distance) C4'-P energy: -105.678 bonds (distance) P-C4' energy: -118.172 flat angles C4'-P-C4' energy: -114.878 flat angles P-C4'-P energy: -93.328 tors. eta vs tors. theta energy: -126.350 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 376 Temperature: 1.200000 Total energy: -1241.079548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1241.079548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1241.079548 (E_RNA) where: Base-Base interactions energy: -760.333 where: short stacking energy: -347.398 Base-Backbone interact. energy: -1.191 local terms energy: -479.554929 where: bonds (distance) C4'-P energy: -112.084 bonds (distance) P-C4' energy: -109.318 flat angles C4'-P-C4' energy: -114.626 flat angles P-C4'-P energy: -72.835 tors. eta vs tors. theta energy: -70.692 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: 3 ===================================== Write number: 376 Temperature: 1.250000 Total energy: -878.365551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -878.365551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -878.365551 (E_RNA) where: Base-Base interactions energy: -489.908 where: short stacking energy: -254.234 Base-Backbone interact. energy: 5.086 local terms energy: -393.819441 where: bonds (distance) C4'-P energy: -102.559 bonds (distance) P-C4' energy: -104.211 flat angles C4'-P-C4' energy: -117.453 flat angles P-C4'-P energy: -53.881 tors. eta vs tors. theta energy: -15.716 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.276 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 376 Temperature: 1.300000 Total energy: -651.945287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -651.945287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -651.945287 (E_RNA) where: Base-Base interactions energy: -296.273 where: short stacking energy: -177.714 Base-Backbone interact. energy: 1.063 local terms energy: -356.735593 where: bonds (distance) C4'-P energy: -109.143 bonds (distance) P-C4' energy: -112.184 flat angles C4'-P-C4' energy: -97.107 flat angles P-C4'-P energy: -53.663 tors. eta vs tors. theta energy: 15.361 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 376 Temperature: 1.350000 Total energy: -487.722340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -487.722340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -487.722340 (E_RNA) where: Base-Base interactions energy: -176.249 where: short stacking energy: -117.315 Base-Backbone interact. energy: 0.584 local terms energy: -312.056869 where: bonds (distance) C4'-P energy: -96.733 bonds (distance) P-C4' energy: -115.600 flat angles C4'-P-C4' energy: -102.073 flat angles P-C4'-P energy: -41.790 tors. eta vs tors. theta energy: 44.140 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 377 Temperature: 0.900000 Total energy: -2232.278353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2232.278353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2232.278353 (E_RNA) where: Base-Base interactions energy: -1488.728 where: short stacking energy: -638.169 Base-Backbone interact. energy: 0.227 local terms energy: -743.776740 where: bonds (distance) C4'-P energy: -141.284 bonds (distance) P-C4' energy: -134.201 flat angles C4'-P-C4' energy: -151.534 flat angles P-C4'-P energy: -106.112 tors. eta vs tors. theta energy: -210.645 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: 8 ===================================== Write number: 377 Temperature: 0.950000 Total energy: -2221.419228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2221.419228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2221.419228 (E_RNA) where: Base-Base interactions energy: -1526.389 where: short stacking energy: -623.367 Base-Backbone interact. energy: -6.794 local terms energy: -688.236946 where: bonds (distance) C4'-P energy: -119.418 bonds (distance) P-C4' energy: -125.363 flat angles C4'-P-C4' energy: -146.264 flat angles P-C4'-P energy: -100.340 tors. eta vs tors. theta energy: -196.853 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 377 Temperature: 1.000000 Total energy: -2130.742208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2130.742208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2130.742208 (E_RNA) where: Base-Base interactions energy: -1435.312 where: short stacking energy: -594.841 Base-Backbone interact. energy: -2.197 local terms energy: -693.232923 where: bonds (distance) C4'-P energy: -125.170 bonds (distance) P-C4' energy: -145.062 flat angles C4'-P-C4' energy: -138.877 flat angles P-C4'-P energy: -94.515 tors. eta vs tors. theta energy: -189.608 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: 4, replica: 5 ===================================== Write number: 377 Temperature: 1.050000 Total energy: -2030.674434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2030.674434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2030.674434 (E_RNA) where: Base-Base interactions energy: -1397.131 where: short stacking energy: -611.515 Base-Backbone interact. energy: -3.961 local terms energy: -629.583001 where: bonds (distance) C4'-P energy: -92.851 bonds (distance) P-C4' energy: -124.693 flat angles C4'-P-C4' energy: -137.117 flat angles P-C4'-P energy: -83.451 tors. eta vs tors. theta energy: -191.471 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 377 Temperature: 1.100000 Total energy: -1912.419377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1912.419377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1912.419377 (E_RNA) where: Base-Base interactions energy: -1315.532 where: short stacking energy: -529.901 Base-Backbone interact. energy: 0.166 local terms energy: -597.053366 where: bonds (distance) C4'-P energy: -94.622 bonds (distance) P-C4' energy: -120.050 flat angles C4'-P-C4' energy: -136.942 flat angles P-C4'-P energy: -78.411 tors. eta vs tors. theta energy: -167.028 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: 10 ===================================== Write number: 377 Temperature: 1.150000 Total energy: -1649.716938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1649.716938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1649.716938 (E_RNA) where: Base-Base interactions energy: -1110.774 where: short stacking energy: -481.304 Base-Backbone interact. energy: -3.254 local terms energy: -535.689095 where: bonds (distance) C4'-P energy: -112.103 bonds (distance) P-C4' energy: -112.530 flat angles C4'-P-C4' energy: -114.865 flat angles P-C4'-P energy: -57.557 tors. eta vs tors. theta energy: -138.634 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 377 Temperature: 1.200000 Total energy: -1247.873764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1247.873764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1247.873764 (E_RNA) where: Base-Base interactions energy: -765.027 where: short stacking energy: -348.306 Base-Backbone interact. energy: -1.587 local terms energy: -481.259765 where: bonds (distance) C4'-P energy: -115.851 bonds (distance) P-C4' energy: -126.084 flat angles C4'-P-C4' energy: -115.090 flat angles P-C4'-P energy: -57.356 tors. eta vs tors. theta energy: -66.880 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: 3 ===================================== Write number: 377 Temperature: 1.250000 Total energy: -846.265999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -846.265999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -846.265999 (E_RNA) where: Base-Base interactions energy: -461.235 where: short stacking energy: -245.875 Base-Backbone interact. energy: 2.851 local terms energy: -387.882367 where: bonds (distance) C4'-P energy: -104.177 bonds (distance) P-C4' energy: -118.431 flat angles C4'-P-C4' energy: -94.026 flat angles P-C4'-P energy: -61.893 tors. eta vs tors. theta energy: -9.356 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 377 Temperature: 1.300000 Total energy: -700.549236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -700.549236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -700.549236 (E_RNA) where: Base-Base interactions energy: -331.119 where: short stacking energy: -169.128 Base-Backbone interact. energy: 1.704 local terms energy: -371.134141 where: bonds (distance) C4'-P energy: -91.345 bonds (distance) P-C4' energy: -125.818 flat angles C4'-P-C4' energy: -103.390 flat angles P-C4'-P energy: -56.926 tors. eta vs tors. theta energy: 6.345 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: 4 ===================================== Write number: 377 Temperature: 1.350000 Total energy: -471.354403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -471.354403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -471.354403 (E_RNA) where: Base-Base interactions energy: -157.743 where: short stacking energy: -106.787 Base-Backbone interact. energy: -0.945 local terms energy: -312.666613 where: bonds (distance) C4'-P energy: -104.140 bonds (distance) P-C4' energy: -105.974 flat angles C4'-P-C4' energy: -98.530 flat angles P-C4'-P energy: -50.563 tors. eta vs tors. theta energy: 46.541 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 378 Temperature: 0.900000 Total energy: -2267.362617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2267.362617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2267.362617 (E_RNA) where: Base-Base interactions energy: -1582.299 where: short stacking energy: -651.872 Base-Backbone interact. energy: -4.488 local terms energy: -682.329995 where: bonds (distance) C4'-P energy: -120.732 bonds (distance) P-C4' energy: -133.886 flat angles C4'-P-C4' energy: -135.820 flat angles P-C4'-P energy: -96.604 tors. eta vs tors. theta energy: -195.287 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 1.754 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 378 Temperature: 0.950000 Total energy: -2176.091903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2176.091903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2176.091903 (E_RNA) where: Base-Base interactions energy: -1471.726 where: short stacking energy: -634.801 Base-Backbone interact. energy: -2.514 local terms energy: -701.852298 where: bonds (distance) C4'-P energy: -126.787 bonds (distance) P-C4' energy: -136.954 flat angles C4'-P-C4' energy: -145.374 flat angles P-C4'-P energy: -91.650 tors. eta vs tors. theta energy: -201.087 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 378 Temperature: 1.000000 Total energy: -2160.475893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2160.475893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2160.475893 (E_RNA) where: Base-Base interactions energy: -1476.704 where: short stacking energy: -632.139 Base-Backbone interact. energy: -2.137 local terms energy: -681.635271 where: bonds (distance) C4'-P energy: -87.328 bonds (distance) P-C4' energy: -143.438 flat angles C4'-P-C4' energy: -146.011 flat angles P-C4'-P energy: -108.466 tors. eta vs tors. theta energy: -196.392 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 378 Temperature: 1.050000 Total energy: -1975.006750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1975.006750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1975.006750 (E_RNA) where: Base-Base interactions energy: -1332.582 where: short stacking energy: -568.547 Base-Backbone interact. energy: -2.680 local terms energy: -639.745461 where: bonds (distance) C4'-P energy: -124.639 bonds (distance) P-C4' energy: -104.925 flat angles C4'-P-C4' energy: -130.826 flat angles P-C4'-P energy: -93.502 tors. eta vs tors. theta energy: -185.853 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: 7 ===================================== Write number: 378 Temperature: 1.100000 Total energy: -1939.219917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1939.219917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1939.219917 (E_RNA) where: Base-Base interactions energy: -1313.367 where: short stacking energy: -567.839 Base-Backbone interact. energy: -1.621 local terms energy: -625.183195 where: bonds (distance) C4'-P energy: -115.255 bonds (distance) P-C4' energy: -108.153 flat angles C4'-P-C4' energy: -132.390 flat angles P-C4'-P energy: -83.223 tors. eta vs tors. theta energy: -186.163 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.952 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 378 Temperature: 1.150000 Total energy: -1655.768914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1655.768914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1655.768914 (E_RNA) where: Base-Base interactions energy: -1067.467 where: short stacking energy: -470.637 Base-Backbone interact. energy: 5.390 local terms energy: -593.691754 where: bonds (distance) C4'-P energy: -125.097 bonds (distance) P-C4' energy: -110.632 flat angles C4'-P-C4' energy: -133.537 flat angles P-C4'-P energy: -81.221 tors. eta vs tors. theta energy: -143.205 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: 1 ===================================== Write number: 378 Temperature: 1.200000 Total energy: -1234.629720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1234.629720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1234.629720 (E_RNA) where: Base-Base interactions energy: -736.752 where: short stacking energy: -343.757 Base-Backbone interact. energy: -1.167 local terms energy: -496.711101 where: bonds (distance) C4'-P energy: -104.254 bonds (distance) P-C4' energy: -119.130 flat angles C4'-P-C4' energy: -109.971 flat angles P-C4'-P energy: -80.491 tors. eta vs tors. theta energy: -82.866 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 378 Temperature: 1.250000 Total energy: -831.842668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -831.842668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -831.842668 (E_RNA) where: Base-Base interactions energy: -453.768 where: short stacking energy: -205.141 Base-Backbone interact. energy: -1.477 local terms energy: -376.597634 where: bonds (distance) C4'-P energy: -88.339 bonds (distance) P-C4' energy: -113.267 flat angles C4'-P-C4' energy: -112.038 flat angles P-C4'-P energy: -56.480 tors. eta vs tors. theta energy: -6.475 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 378 Temperature: 1.300000 Total energy: -721.573854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -721.573854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -721.573854 (E_RNA) where: Base-Base interactions energy: -337.804 where: short stacking energy: -209.121 Base-Backbone interact. energy: -2.218 local terms energy: -381.551346 where: bonds (distance) C4'-P energy: -97.813 bonds (distance) P-C4' energy: -130.362 flat angles C4'-P-C4' energy: -85.386 flat angles P-C4'-P energy: -62.533 tors. eta vs tors. theta energy: -5.456 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 378 Temperature: 1.350000 Total energy: -544.061867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -544.061867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -544.061867 (E_RNA) where: Base-Base interactions energy: -192.183 where: short stacking energy: -139.252 Base-Backbone interact. energy: -2.323 local terms energy: -349.555759 where: bonds (distance) C4'-P energy: -109.598 bonds (distance) P-C4' energy: -112.528 flat angles C4'-P-C4' energy: -77.015 flat angles P-C4'-P energy: -70.623 tors. eta vs tors. theta energy: 20.209 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: 1, replica: 8 ===================================== Write number: 379 Temperature: 0.900000 Total energy: -2265.047959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2265.047959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2265.047959 (E_RNA) where: Base-Base interactions energy: -1571.664 where: short stacking energy: -648.177 Base-Backbone interact. energy: -2.618 local terms energy: -690.766250 where: bonds (distance) C4'-P energy: -136.368 bonds (distance) P-C4' energy: -123.436 flat angles C4'-P-C4' energy: -132.862 flat angles P-C4'-P energy: -93.155 tors. eta vs tors. theta energy: -204.946 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: 6 ===================================== Write number: 379 Temperature: 0.950000 Total energy: -2168.774609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2168.774609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2168.774609 (E_RNA) where: Base-Base interactions energy: -1487.114 where: short stacking energy: -636.879 Base-Backbone interact. energy: 1.171 local terms energy: -682.831921 where: bonds (distance) C4'-P energy: -110.134 bonds (distance) P-C4' energy: -131.222 flat angles C4'-P-C4' energy: -147.920 flat angles P-C4'-P energy: -97.468 tors. eta vs tors. theta energy: -196.088 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 379 Temperature: 1.000000 Total energy: -2146.395789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2146.395789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2146.395789 (E_RNA) where: Base-Base interactions energy: -1463.200 where: short stacking energy: -600.852 Base-Backbone interact. energy: 0.910 local terms energy: -684.105815 where: bonds (distance) C4'-P energy: -113.818 bonds (distance) P-C4' energy: -113.731 flat angles C4'-P-C4' energy: -158.513 flat angles P-C4'-P energy: -103.898 tors. eta vs tors. theta energy: -194.146 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 379 Temperature: 1.050000 Total energy: -1988.723297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1988.723297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1988.723297 (E_RNA) where: Base-Base interactions energy: -1337.993 where: short stacking energy: -570.321 Base-Backbone interact. energy: -4.857 local terms energy: -645.873466 where: bonds (distance) C4'-P energy: -117.163 bonds (distance) P-C4' energy: -120.653 flat angles C4'-P-C4' energy: -137.165 flat angles P-C4'-P energy: -88.615 tors. eta vs tors. theta energy: -182.278 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: 7 ===================================== Write number: 379 Temperature: 1.100000 Total energy: -1941.475239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1941.475239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1941.475239 (E_RNA) where: Base-Base interactions energy: -1312.943 where: short stacking energy: -534.290 Base-Backbone interact. energy: -1.971 local terms energy: -626.561917 where: bonds (distance) C4'-P energy: -111.716 bonds (distance) P-C4' energy: -113.964 flat angles C4'-P-C4' energy: -141.158 flat angles P-C4'-P energy: -82.837 tors. eta vs tors. theta energy: -176.887 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 379 Temperature: 1.150000 Total energy: -1644.601696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1644.601696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1644.601696 (E_RNA) where: Base-Base interactions energy: -1079.786 where: short stacking energy: -439.861 Base-Backbone interact. energy: 0.741 local terms energy: -565.556615 where: bonds (distance) C4'-P energy: -112.448 bonds (distance) P-C4' energy: -127.361 flat angles C4'-P-C4' energy: -121.339 flat angles P-C4'-P energy: -85.208 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: 7, replica: 1 ===================================== Write number: 379 Temperature: 1.200000 Total energy: -1210.805780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1210.805780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1210.805780 (E_RNA) where: Base-Base interactions energy: -739.793 where: short stacking energy: -321.158 Base-Backbone interact. energy: -2.726 local terms energy: -468.286980 where: bonds (distance) C4'-P energy: -108.174 bonds (distance) P-C4' energy: -125.788 flat angles C4'-P-C4' energy: -104.318 flat angles P-C4'-P energy: -70.859 tors. eta vs tors. theta energy: -59.148 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 379 Temperature: 1.250000 Total energy: -842.638961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -842.638961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -842.638961 (E_RNA) where: Base-Base interactions energy: -438.979 where: short stacking energy: -236.273 Base-Backbone interact. energy: 0.058 local terms energy: -403.718504 where: bonds (distance) C4'-P energy: -101.813 bonds (distance) P-C4' energy: -103.109 flat angles C4'-P-C4' energy: -110.949 flat angles P-C4'-P energy: -65.963 tors. eta vs tors. theta energy: -21.884 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 379 Temperature: 1.300000 Total energy: -695.959208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -695.959208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -695.959208 (E_RNA) where: Base-Base interactions energy: -323.347 where: short stacking energy: -205.129 Base-Backbone interact. energy: 0.364 local terms energy: -372.975472 where: bonds (distance) C4'-P energy: -108.690 bonds (distance) P-C4' energy: -109.802 flat angles C4'-P-C4' energy: -86.677 flat angles P-C4'-P energy: -70.478 tors. eta vs tors. theta energy: 2.672 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 379 Temperature: 1.350000 Total energy: -488.938440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -488.938440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -488.938440 (E_RNA) where: Base-Base interactions energy: -157.230 where: short stacking energy: -141.514 Base-Backbone interact. energy: 3.888 local terms energy: -335.596217 where: bonds (distance) C4'-P energy: -114.035 bonds (distance) P-C4' energy: -101.123 flat angles C4'-P-C4' energy: -82.436 flat angles P-C4'-P energy: -53.835 tors. eta vs tors. theta energy: 15.833 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 380 Temperature: 0.900000 Total energy: -2271.079264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2271.079264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2271.079264 (E_RNA) where: Base-Base interactions energy: -1567.063 where: short stacking energy: -636.074 Base-Backbone interact. energy: 1.380 local terms energy: -705.396940 where: bonds (distance) C4'-P energy: -127.945 bonds (distance) P-C4' energy: -136.527 flat angles C4'-P-C4' energy: -152.599 flat angles P-C4'-P energy: -102.656 tors. eta vs tors. theta energy: -185.669 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 380 Temperature: 0.950000 Total energy: -2197.801703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2197.801703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2197.801703 (E_RNA) where: Base-Base interactions energy: -1490.460 where: short stacking energy: -636.370 Base-Backbone interact. energy: -1.181 local terms energy: -706.161179 where: bonds (distance) C4'-P energy: -124.204 bonds (distance) P-C4' energy: -129.758 flat angles C4'-P-C4' energy: -162.356 flat angles P-C4'-P energy: -91.807 tors. eta vs tors. theta energy: -198.036 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 380 Temperature: 1.000000 Total energy: -2177.614136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2177.614136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2177.614136 (E_RNA) where: Base-Base interactions energy: -1482.441 where: short stacking energy: -594.870 Base-Backbone interact. energy: 0.152 local terms energy: -695.324712 where: bonds (distance) C4'-P energy: -127.986 bonds (distance) P-C4' energy: -133.198 flat angles C4'-P-C4' energy: -141.169 flat angles P-C4'-P energy: -100.271 tors. eta vs tors. theta energy: -192.699 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 380 Temperature: 1.050000 Total energy: -2018.369422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2018.369422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2018.369422 (E_RNA) where: Base-Base interactions energy: -1331.730 where: short stacking energy: -590.625 Base-Backbone interact. energy: -2.752 local terms energy: -683.887618 where: bonds (distance) C4'-P energy: -139.675 bonds (distance) P-C4' energy: -128.226 flat angles C4'-P-C4' energy: -136.774 flat angles P-C4'-P energy: -95.170 tors. eta vs tors. theta energy: -184.044 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: 5, replica: 7 ===================================== Write number: 380 Temperature: 1.100000 Total energy: -1892.417333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1892.417333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1892.417333 (E_RNA) where: Base-Base interactions energy: -1276.075 where: short stacking energy: -531.732 Base-Backbone interact. energy: -0.868 local terms energy: -615.474547 where: bonds (distance) C4'-P energy: -106.397 bonds (distance) P-C4' energy: -134.983 flat angles C4'-P-C4' energy: -123.176 flat angles P-C4'-P energy: -75.666 tors. eta vs tors. theta energy: -175.254 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 380 Temperature: 1.150000 Total energy: -1646.136344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1646.136344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1646.136344 (E_RNA) where: Base-Base interactions energy: -1089.416 where: short stacking energy: -461.044 Base-Backbone interact. energy: -0.981 local terms energy: -555.739460 where: bonds (distance) C4'-P energy: -104.694 bonds (distance) P-C4' energy: -123.833 flat angles C4'-P-C4' energy: -116.908 flat angles P-C4'-P energy: -77.491 tors. eta vs tors. theta energy: -132.813 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 380 Temperature: 1.200000 Total energy: -1239.265212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1239.265212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1239.265212 (E_RNA) where: Base-Base interactions energy: -779.626 where: short stacking energy: -346.695 Base-Backbone interact. energy: -0.984 local terms energy: -458.655847 where: bonds (distance) C4'-P energy: -109.646 bonds (distance) P-C4' energy: -110.014 flat angles C4'-P-C4' energy: -109.814 flat angles P-C4'-P energy: -65.931 tors. eta vs tors. theta energy: -63.252 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: 3 ===================================== Write number: 380 Temperature: 1.250000 Total energy: -837.562080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -837.562080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -837.562080 (E_RNA) where: Base-Base interactions energy: -464.627 where: short stacking energy: -226.035 Base-Backbone interact. energy: 0.785 local terms energy: -373.720189 where: bonds (distance) C4'-P energy: -92.253 bonds (distance) P-C4' energy: -109.330 flat angles C4'-P-C4' energy: -103.262 flat angles P-C4'-P energy: -64.641 tors. eta vs tors. theta energy: -4.234 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 380 Temperature: 1.300000 Total energy: -720.590610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -720.590610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -720.590610 (E_RNA) where: Base-Base interactions energy: -374.586 where: short stacking energy: -181.352 Base-Backbone interact. energy: -0.261 local terms energy: -345.743269 where: bonds (distance) C4'-P energy: -90.377 bonds (distance) P-C4' energy: -101.106 flat angles C4'-P-C4' energy: -106.975 flat angles P-C4'-P energy: -63.568 tors. eta vs tors. theta energy: 16.283 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 380 Temperature: 1.350000 Total energy: -467.523309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -467.523309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -467.523309 (E_RNA) where: Base-Base interactions energy: -153.277 where: short stacking energy: -137.935 Base-Backbone interact. energy: 1.813 local terms energy: -316.059603 where: bonds (distance) C4'-P energy: -103.300 bonds (distance) P-C4' energy: -104.594 flat angles C4'-P-C4' energy: -81.908 flat angles P-C4'-P energy: -60.931 tors. eta vs tors. theta energy: 34.674 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: 381 Temperature: 0.900000 Total energy: -2300.436711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2300.436711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2300.436711 (E_RNA) where: Base-Base interactions energy: -1581.443 where: short stacking energy: -642.203 Base-Backbone interact. energy: -2.368 local terms energy: -716.625801 where: bonds (distance) C4'-P energy: -136.047 bonds (distance) P-C4' energy: -127.714 flat angles C4'-P-C4' energy: -152.923 flat angles P-C4'-P energy: -98.679 tors. eta vs tors. theta energy: -201.263 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 381 Temperature: 0.950000 Total energy: -2214.488864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2214.488864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2214.488864 (E_RNA) where: Base-Base interactions energy: -1502.832 where: short stacking energy: -628.502 Base-Backbone interact. energy: -0.606 local terms energy: -711.050904 where: bonds (distance) C4'-P energy: -119.736 bonds (distance) P-C4' energy: -131.354 flat angles C4'-P-C4' energy: -157.107 flat angles P-C4'-P energy: -97.257 tors. eta vs tors. theta energy: -205.597 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 381 Temperature: 1.000000 Total energy: -2143.062419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2143.062419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2143.062419 (E_RNA) where: Base-Base interactions energy: -1461.888 where: short stacking energy: -604.924 Base-Backbone interact. energy: -2.217 local terms energy: -678.957048 where: bonds (distance) C4'-P energy: -120.378 bonds (distance) P-C4' energy: -127.280 flat angles C4'-P-C4' energy: -145.082 flat angles P-C4'-P energy: -94.083 tors. eta vs tors. theta energy: -192.134 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 381 Temperature: 1.050000 Total energy: -1996.308892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1996.308892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1996.308892 (E_RNA) where: Base-Base interactions energy: -1350.873 where: short stacking energy: -567.112 Base-Backbone interact. energy: -2.272 local terms energy: -643.163687 where: bonds (distance) C4'-P energy: -100.398 bonds (distance) P-C4' energy: -123.260 flat angles C4'-P-C4' energy: -144.408 flat angles P-C4'-P energy: -85.232 tors. eta vs tors. theta energy: -189.867 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: 5, replica: 7 ===================================== Write number: 381 Temperature: 1.100000 Total energy: -1899.951217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1899.951217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1899.951217 (E_RNA) where: Base-Base interactions energy: -1264.856 where: short stacking energy: -505.644 Base-Backbone interact. energy: -2.663 local terms energy: -632.432239 where: bonds (distance) C4'-P energy: -111.490 bonds (distance) P-C4' energy: -132.324 flat angles C4'-P-C4' energy: -131.882 flat angles P-C4'-P energy: -93.126 tors. eta vs tors. theta energy: -163.610 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: 10 ===================================== Write number: 381 Temperature: 1.150000 Total energy: -1637.305570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1637.305570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1637.305570 (E_RNA) where: Base-Base interactions energy: -1064.304 where: short stacking energy: -453.298 Base-Backbone interact. energy: -0.559 local terms energy: -572.441739 where: bonds (distance) C4'-P energy: -113.416 bonds (distance) P-C4' energy: -129.626 flat angles C4'-P-C4' energy: -119.287 flat angles P-C4'-P energy: -79.894 tors. eta vs tors. theta energy: -130.219 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 381 Temperature: 1.200000 Total energy: -1277.536350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1277.536350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1277.536350 (E_RNA) where: Base-Base interactions energy: -805.067 where: short stacking energy: -345.756 Base-Backbone interact. energy: -1.115 local terms energy: -471.354437 where: bonds (distance) C4'-P energy: -107.318 bonds (distance) P-C4' energy: -117.973 flat angles C4'-P-C4' energy: -128.844 flat angles P-C4'-P energy: -65.444 tors. eta vs tors. theta energy: -51.775 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: 3 ===================================== Write number: 381 Temperature: 1.250000 Total energy: -870.741739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -870.741739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -870.741739 (E_RNA) where: Base-Base interactions energy: -453.405 where: short stacking energy: -241.877 Base-Backbone interact. energy: -2.055 local terms energy: -415.281807 where: bonds (distance) C4'-P energy: -108.460 bonds (distance) P-C4' energy: -108.338 flat angles C4'-P-C4' energy: -110.029 flat angles P-C4'-P energy: -56.087 tors. eta vs tors. theta energy: -32.367 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 381 Temperature: 1.300000 Total energy: -671.372467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -671.372467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -671.372467 (E_RNA) where: Base-Base interactions energy: -291.433 where: short stacking energy: -187.483 Base-Backbone interact. energy: 2.155 local terms energy: -382.094899 where: bonds (distance) C4'-P energy: -124.194 bonds (distance) P-C4' energy: -107.193 flat angles C4'-P-C4' energy: -85.259 flat angles P-C4'-P energy: -60.337 tors. eta vs tors. theta energy: -5.113 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 381 Temperature: 1.350000 Total energy: -538.294035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -538.294035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -538.294035 (E_RNA) where: Base-Base interactions energy: -172.336 where: short stacking energy: -124.090 Base-Backbone interact. energy: -1.904 local terms energy: -364.054456 where: bonds (distance) C4'-P energy: -93.610 bonds (distance) P-C4' energy: -117.982 flat angles C4'-P-C4' energy: -103.924 flat angles P-C4'-P energy: -66.063 tors. eta vs tors. theta energy: 17.525 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: 8 ===================================== Write number: 382 Temperature: 0.900000 Total energy: -2293.609700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2293.609700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2293.609700 (E_RNA) where: Base-Base interactions energy: -1568.567 where: short stacking energy: -654.375 Base-Backbone interact. energy: -1.592 local terms energy: -723.450890 where: bonds (distance) C4'-P energy: -130.701 bonds (distance) P-C4' energy: -139.977 flat angles C4'-P-C4' energy: -149.888 flat angles P-C4'-P energy: -97.123 tors. eta vs tors. theta energy: -205.762 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 382 Temperature: 0.950000 Total energy: -2186.350605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2186.350605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2186.350605 (E_RNA) where: Base-Base interactions energy: -1468.689 where: short stacking energy: -641.200 Base-Backbone interact. energy: -3.298 local terms energy: -714.363179 where: bonds (distance) C4'-P energy: -125.511 bonds (distance) P-C4' energy: -142.386 flat angles C4'-P-C4' energy: -156.803 flat angles P-C4'-P energy: -92.341 tors. eta vs tors. theta energy: -197.321 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 382 Temperature: 1.000000 Total energy: -2161.447360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2161.447360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2161.447360 (E_RNA) where: Base-Base interactions energy: -1458.618 where: short stacking energy: -596.738 Base-Backbone interact. energy: -2.001 local terms energy: -700.827892 where: bonds (distance) C4'-P energy: -129.224 bonds (distance) P-C4' energy: -135.323 flat angles C4'-P-C4' energy: -149.784 flat angles P-C4'-P energy: -95.405 tors. eta vs tors. theta energy: -191.091 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: 4, replica: 5 ===================================== Write number: 382 Temperature: 1.050000 Total energy: -2001.216557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2001.216557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2001.216557 (E_RNA) where: Base-Base interactions energy: -1336.434 where: short stacking energy: -559.072 Base-Backbone interact. energy: -0.520 local terms energy: -664.262166 where: bonds (distance) C4'-P energy: -129.056 bonds (distance) P-C4' energy: -119.784 flat angles C4'-P-C4' energy: -141.628 flat angles P-C4'-P energy: -86.559 tors. eta vs tors. theta energy: -187.235 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: 7 ===================================== Write number: 382 Temperature: 1.100000 Total energy: -1909.338337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1909.338337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1909.338337 (E_RNA) where: Base-Base interactions energy: -1304.064 where: short stacking energy: -511.635 Base-Backbone interact. energy: -2.769 local terms energy: -602.505355 where: bonds (distance) C4'-P energy: -101.688 bonds (distance) P-C4' energy: -99.755 flat angles C4'-P-C4' energy: -145.335 flat angles P-C4'-P energy: -94.447 tors. eta vs tors. theta energy: -161.281 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 382 Temperature: 1.150000 Total energy: -1659.301826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1659.301826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1659.301826 (E_RNA) where: Base-Base interactions energy: -1072.777 where: short stacking energy: -474.592 Base-Backbone interact. energy: -1.814 local terms energy: -584.711344 where: bonds (distance) C4'-P energy: -115.831 bonds (distance) P-C4' energy: -121.804 flat angles C4'-P-C4' energy: -133.642 flat angles P-C4'-P energy: -80.989 tors. eta vs tors. theta energy: -132.445 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 382 Temperature: 1.200000 Total energy: -1306.590703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1306.590703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1306.590703 (E_RNA) where: Base-Base interactions energy: -798.324 where: short stacking energy: -345.618 Base-Backbone interact. energy: 0.983 local terms energy: -509.249711 where: bonds (distance) C4'-P energy: -125.738 bonds (distance) P-C4' energy: -112.007 flat angles C4'-P-C4' energy: -128.121 flat angles P-C4'-P energy: -73.025 tors. eta vs tors. theta energy: -70.358 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: 3 ===================================== Write number: 382 Temperature: 1.250000 Total energy: -820.867679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -820.867679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -820.867679 (E_RNA) where: Base-Base interactions energy: -413.120 where: short stacking energy: -217.178 Base-Backbone interact. energy: -1.821 local terms energy: -405.926358 where: bonds (distance) C4'-P energy: -108.393 bonds (distance) P-C4' energy: -111.622 flat angles C4'-P-C4' energy: -108.936 flat angles P-C4'-P energy: -63.442 tors. eta vs tors. theta energy: -13.534 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: 9, replica: 9 ===================================== Write number: 382 Temperature: 1.300000 Total energy: -751.152230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -751.152230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -751.152230 (E_RNA) where: Base-Base interactions energy: -381.063 where: short stacking energy: -203.086 Base-Backbone interact. energy: 0.678 local terms energy: -370.766638 where: bonds (distance) C4'-P energy: -119.953 bonds (distance) P-C4' energy: -114.055 flat angles C4'-P-C4' energy: -80.228 flat angles P-C4'-P energy: -71.799 tors. eta vs tors. theta energy: 15.268 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 382 Temperature: 1.350000 Total energy: -485.168974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -485.168974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -485.168974 (E_RNA) where: Base-Base interactions energy: -171.390 where: short stacking energy: -121.868 Base-Backbone interact. energy: 3.236 local terms energy: -317.015442 where: bonds (distance) C4'-P energy: -109.755 bonds (distance) P-C4' energy: -96.162 flat angles C4'-P-C4' energy: -71.466 flat angles P-C4'-P energy: -57.557 tors. eta vs tors. theta energy: 17.924 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 383 Temperature: 0.900000 Total energy: -2283.297396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2283.297396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2283.297396 (E_RNA) where: Base-Base interactions energy: -1552.924 where: short stacking energy: -621.041 Base-Backbone interact. energy: -0.967 local terms energy: -729.406295 where: bonds (distance) C4'-P energy: -135.026 bonds (distance) P-C4' energy: -147.149 flat angles C4'-P-C4' energy: -150.652 flat angles P-C4'-P energy: -88.392 tors. eta vs tors. theta energy: -208.188 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 383 Temperature: 0.950000 Total energy: -2175.175078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2175.175078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2175.175078 (E_RNA) where: Base-Base interactions energy: -1479.786 where: short stacking energy: -657.524 Base-Backbone interact. energy: -1.626 local terms energy: -693.762478 where: bonds (distance) C4'-P energy: -125.999 bonds (distance) P-C4' energy: -110.484 flat angles C4'-P-C4' energy: -145.187 flat angles P-C4'-P energy: -101.743 tors. eta vs tors. theta energy: -210.350 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 383 Temperature: 1.000000 Total energy: -2146.612632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2146.612632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2146.612632 (E_RNA) where: Base-Base interactions energy: -1450.827 where: short stacking energy: -606.511 Base-Backbone interact. energy: -0.109 local terms energy: -695.676554 where: bonds (distance) C4'-P energy: -129.410 bonds (distance) P-C4' energy: -121.637 flat angles C4'-P-C4' energy: -144.591 flat angles P-C4'-P energy: -98.339 tors. eta vs tors. theta energy: -201.700 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 383 Temperature: 1.050000 Total energy: -2084.393065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2084.393065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2084.393065 (E_RNA) where: Base-Base interactions energy: -1416.299 where: short stacking energy: -591.453 Base-Backbone interact. energy: 1.369 local terms energy: -669.462667 where: bonds (distance) C4'-P energy: -120.413 bonds (distance) P-C4' energy: -126.884 flat angles C4'-P-C4' energy: -137.048 flat angles P-C4'-P energy: -98.014 tors. eta vs tors. theta energy: -187.104 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 383 Temperature: 1.100000 Total energy: -1917.807506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1917.807506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1917.807506 (E_RNA) where: Base-Base interactions energy: -1277.798 where: short stacking energy: -550.023 Base-Backbone interact. energy: -0.548 local terms energy: -639.461405 where: bonds (distance) C4'-P energy: -115.100 bonds (distance) P-C4' energy: -117.319 flat angles C4'-P-C4' energy: -134.946 flat angles P-C4'-P energy: -89.161 tors. eta vs tors. theta energy: -182.935 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 383 Temperature: 1.150000 Total energy: -1670.573905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1670.573905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1670.573905 (E_RNA) where: Base-Base interactions energy: -1099.401 where: short stacking energy: -474.752 Base-Backbone interact. energy: 0.970 local terms energy: -572.142895 where: bonds (distance) C4'-P energy: -113.943 bonds (distance) P-C4' energy: -120.379 flat angles C4'-P-C4' energy: -118.758 flat angles P-C4'-P energy: -83.356 tors. eta vs tors. theta energy: -135.708 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 383 Temperature: 1.200000 Total energy: -1203.462395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1203.462395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1203.462395 (E_RNA) where: Base-Base interactions energy: -759.666 where: short stacking energy: -338.553 Base-Backbone interact. energy: -3.070 local terms energy: -440.726629 where: bonds (distance) C4'-P energy: -97.826 bonds (distance) P-C4' energy: -111.356 flat angles C4'-P-C4' energy: -106.964 flat angles P-C4'-P energy: -73.550 tors. eta vs tors. theta energy: -51.031 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 383 Temperature: 1.250000 Total energy: -855.825873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -855.825873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -855.825873 (E_RNA) where: Base-Base interactions energy: -448.848 where: short stacking energy: -237.861 Base-Backbone interact. energy: -2.963 local terms energy: -404.014883 where: bonds (distance) C4'-P energy: -104.924 bonds (distance) P-C4' energy: -116.296 flat angles C4'-P-C4' energy: -106.479 flat angles P-C4'-P energy: -59.957 tors. eta vs tors. theta energy: -16.359 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 383 Temperature: 1.300000 Total energy: -733.018819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -733.018819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -733.018819 (E_RNA) where: Base-Base interactions energy: -373.968 where: short stacking energy: -206.794 Base-Backbone interact. energy: -0.797 local terms energy: -358.254126 where: bonds (distance) C4'-P energy: -96.682 bonds (distance) P-C4' energy: -104.073 flat angles C4'-P-C4' energy: -85.757 flat angles P-C4'-P energy: -57.026 tors. eta vs tors. theta energy: -14.716 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: 4 ===================================== Write number: 383 Temperature: 1.350000 Total energy: -465.863702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -465.863702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -465.863702 (E_RNA) where: Base-Base interactions energy: -163.408 where: short stacking energy: -95.426 Base-Backbone interact. energy: 3.585 local terms energy: -306.040239 where: bonds (distance) C4'-P energy: -97.621 bonds (distance) P-C4' energy: -119.045 flat angles C4'-P-C4' energy: -90.280 flat angles P-C4'-P energy: -39.480 tors. eta vs tors. theta energy: 40.386 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 384 Temperature: 0.900000 Total energy: -2288.759918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2288.759918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2288.759918 (E_RNA) where: Base-Base interactions energy: -1570.132 where: short stacking energy: -634.693 Base-Backbone interact. energy: -2.410 local terms energy: -716.217416 where: bonds (distance) C4'-P energy: -122.612 bonds (distance) P-C4' energy: -141.369 flat angles C4'-P-C4' energy: -148.219 flat angles P-C4'-P energy: -102.465 tors. eta vs tors. theta energy: -201.553 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: 6 ===================================== Write number: 384 Temperature: 0.950000 Total energy: -2185.634726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2185.634726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2185.634726 (E_RNA) where: Base-Base interactions energy: -1489.077 where: short stacking energy: -652.627 Base-Backbone interact. energy: -1.313 local terms energy: -695.245296 where: bonds (distance) C4'-P energy: -110.696 bonds (distance) P-C4' energy: -122.636 flat angles C4'-P-C4' energy: -156.851 flat angles P-C4'-P energy: -99.032 tors. eta vs tors. theta energy: -206.030 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: 3, replica: 2 ===================================== Write number: 384 Temperature: 1.000000 Total energy: -2155.574162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2155.574162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2155.574162 (E_RNA) where: Base-Base interactions energy: -1477.488 where: short stacking energy: -611.881 Base-Backbone interact. energy: -3.586 local terms energy: -674.500183 where: bonds (distance) C4'-P energy: -126.640 bonds (distance) P-C4' energy: -123.586 flat angles C4'-P-C4' energy: -150.539 flat angles P-C4'-P energy: -87.491 tors. eta vs tors. theta energy: -186.244 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 384 Temperature: 1.050000 Total energy: -2079.313523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2079.313523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2079.313523 (E_RNA) where: Base-Base interactions energy: -1392.022 where: short stacking energy: -588.120 Base-Backbone interact. energy: 0.781 local terms energy: -688.072359 where: bonds (distance) C4'-P energy: -112.180 bonds (distance) P-C4' energy: -128.990 flat angles C4'-P-C4' energy: -155.717 flat angles P-C4'-P energy: -98.532 tors. eta vs tors. theta energy: -192.654 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 384 Temperature: 1.100000 Total energy: -1858.310802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1858.310802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1858.310802 (E_RNA) where: Base-Base interactions energy: -1270.964 where: short stacking energy: -529.948 Base-Backbone interact. energy: -0.770 local terms energy: -586.576671 where: bonds (distance) C4'-P energy: -121.819 bonds (distance) P-C4' energy: -106.571 flat angles C4'-P-C4' energy: -129.032 flat angles P-C4'-P energy: -69.752 tors. eta vs tors. theta energy: -159.403 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 384 Temperature: 1.150000 Total energy: -1697.598518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1697.598518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1697.598518 (E_RNA) where: Base-Base interactions energy: -1117.646 where: short stacking energy: -496.150 Base-Backbone interact. energy: 1.383 local terms energy: -581.335837 where: bonds (distance) C4'-P energy: -122.485 bonds (distance) P-C4' energy: -108.716 flat angles C4'-P-C4' energy: -138.844 flat angles P-C4'-P energy: -81.909 tors. eta vs tors. theta energy: -129.381 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: 1 ===================================== Write number: 384 Temperature: 1.200000 Total energy: -1226.310957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1226.310957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1226.310957 (E_RNA) where: Base-Base interactions energy: -758.187 where: short stacking energy: -335.813 Base-Backbone interact. energy: 5.613 local terms energy: -473.736663 where: bonds (distance) C4'-P energy: -111.925 bonds (distance) P-C4' energy: -114.791 flat angles C4'-P-C4' energy: -108.861 flat angles P-C4'-P energy: -75.049 tors. eta vs tors. theta energy: -63.111 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: 3 ===================================== Write number: 384 Temperature: 1.250000 Total energy: -884.677786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -884.677786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -884.677786 (E_RNA) where: Base-Base interactions energy: -469.705 where: short stacking energy: -242.253 Base-Backbone interact. energy: -1.510 local terms energy: -413.462412 where: bonds (distance) C4'-P energy: -113.730 bonds (distance) P-C4' energy: -119.490 flat angles C4'-P-C4' energy: -107.118 flat angles P-C4'-P energy: -63.259 tors. eta vs tors. theta energy: -9.866 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: 9 ===================================== Write number: 384 Temperature: 1.300000 Total energy: -789.121684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -789.121684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -789.121684 (E_RNA) where: Base-Base interactions energy: -381.027 where: short stacking energy: -239.873 Base-Backbone interact. energy: 6.350 local terms energy: -414.444593 where: bonds (distance) C4'-P energy: -111.735 bonds (distance) P-C4' energy: -117.959 flat angles C4'-P-C4' energy: -85.234 flat angles P-C4'-P energy: -80.444 tors. eta vs tors. theta energy: -19.072 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 384 Temperature: 1.350000 Total energy: -476.315663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -476.315663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -476.315663 (E_RNA) where: Base-Base interactions energy: -134.795 where: short stacking energy: -117.073 Base-Backbone interact. energy: -5.521 local terms energy: -336.000182 where: bonds (distance) C4'-P energy: -90.195 bonds (distance) P-C4' energy: -111.009 flat angles C4'-P-C4' energy: -114.622 flat angles P-C4'-P energy: -38.940 tors. eta vs tors. theta energy: 18.766 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 385 Temperature: 0.900000 Total energy: -2328.705213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2328.705213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2328.705213 (E_RNA) where: Base-Base interactions energy: -1581.927 where: short stacking energy: -628.296 Base-Backbone interact. energy: -0.956 local terms energy: -747.270068 where: bonds (distance) C4'-P energy: -135.659 bonds (distance) P-C4' energy: -138.569 flat angles C4'-P-C4' energy: -154.621 flat angles P-C4'-P energy: -107.725 tors. eta vs tors. theta energy: -210.695 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 1.448 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 385 Temperature: 0.950000 Total energy: -2161.390208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2161.390208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2161.390208 (E_RNA) where: Base-Base interactions energy: -1479.881 where: short stacking energy: -631.245 Base-Backbone interact. energy: -1.637 local terms energy: -679.872598 where: bonds (distance) C4'-P energy: -120.857 bonds (distance) P-C4' energy: -127.908 flat angles C4'-P-C4' energy: -138.641 flat angles P-C4'-P energy: -100.107 tors. eta vs tors. theta energy: -192.360 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: 3, replica: 2 ===================================== Write number: 385 Temperature: 1.000000 Total energy: -2139.957593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2139.957593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2139.957593 (E_RNA) where: Base-Base interactions energy: -1475.156 where: short stacking energy: -582.447 Base-Backbone interact. energy: -3.058 local terms energy: -661.743795 where: bonds (distance) C4'-P energy: -108.899 bonds (distance) P-C4' energy: -124.075 flat angles C4'-P-C4' energy: -150.003 flat angles P-C4'-P energy: -92.779 tors. eta vs tors. theta energy: -185.989 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: 7 ===================================== Write number: 385 Temperature: 1.050000 Total energy: -2078.669145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2078.669145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2078.669145 (E_RNA) where: Base-Base interactions energy: -1423.525 where: short stacking energy: -598.568 Base-Backbone interact. energy: -0.126 local terms energy: -655.018221 where: bonds (distance) C4'-P energy: -125.519 bonds (distance) P-C4' energy: -103.443 flat angles C4'-P-C4' energy: -135.630 flat angles P-C4'-P energy: -93.461 tors. eta vs tors. theta energy: -196.965 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: 5 ===================================== Write number: 385 Temperature: 1.100000 Total energy: -1845.310267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1845.310267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1845.310267 (E_RNA) where: Base-Base interactions energy: -1248.076 where: short stacking energy: -520.547 Base-Backbone interact. energy: -3.092 local terms energy: -594.142237 where: bonds (distance) C4'-P energy: -124.024 bonds (distance) P-C4' energy: -102.479 flat angles C4'-P-C4' energy: -132.413 flat angles P-C4'-P energy: -68.410 tors. eta vs tors. theta energy: -166.817 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 385 Temperature: 1.150000 Total energy: -1701.608843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1701.608843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1701.608843 (E_RNA) where: Base-Base interactions energy: -1140.008 where: short stacking energy: -490.752 Base-Backbone interact. energy: -3.747 local terms energy: -557.853847 where: bonds (distance) C4'-P energy: -120.360 bonds (distance) P-C4' energy: -120.005 flat angles C4'-P-C4' energy: -118.565 flat angles P-C4'-P energy: -70.236 tors. eta vs tors. theta energy: -128.688 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 385 Temperature: 1.200000 Total energy: -1168.340338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1168.340338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1168.340338 (E_RNA) where: Base-Base interactions energy: -720.570 where: short stacking energy: -298.259 Base-Backbone interact. energy: 2.109 local terms energy: -449.878886 where: bonds (distance) C4'-P energy: -113.420 bonds (distance) P-C4' energy: -94.946 flat angles C4'-P-C4' energy: -116.071 flat angles P-C4'-P energy: -78.668 tors. eta vs tors. theta energy: -46.774 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: 3 ===================================== Write number: 385 Temperature: 1.250000 Total energy: -873.308700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -873.308700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -873.308700 (E_RNA) where: Base-Base interactions energy: -485.801 where: short stacking energy: -258.698 Base-Backbone interact. energy: 4.597 local terms energy: -392.105278 where: bonds (distance) C4'-P energy: -84.598 bonds (distance) P-C4' energy: -104.452 flat angles C4'-P-C4' energy: -100.611 flat angles P-C4'-P energy: -72.500 tors. eta vs tors. theta energy: -29.944 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 385 Temperature: 1.300000 Total energy: -696.970984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -696.970984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -696.970984 (E_RNA) where: Base-Base interactions energy: -349.338 where: short stacking energy: -183.932 Base-Backbone interact. energy: 5.518 local terms energy: -353.174993 where: bonds (distance) C4'-P energy: -96.997 bonds (distance) P-C4' energy: -100.450 flat angles C4'-P-C4' energy: -113.653 flat angles P-C4'-P energy: -54.211 tors. eta vs tors. theta energy: 12.137 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.025 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 385 Temperature: 1.350000 Total energy: -505.294278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -505.294278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -505.294278 (E_RNA) where: Base-Base interactions energy: -196.375 where: short stacking energy: -122.238 Base-Backbone interact. energy: 4.428 local terms energy: -313.347188 where: bonds (distance) C4'-P energy: -101.422 bonds (distance) P-C4' energy: -120.031 flat angles C4'-P-C4' energy: -91.976 flat angles P-C4'-P energy: -42.002 tors. eta vs tors. theta energy: 42.083 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: 8 ===================================== Write number: 386 Temperature: 0.900000 Total energy: -2330.402455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2330.402455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2330.402455 (E_RNA) where: Base-Base interactions energy: -1601.316 where: short stacking energy: -667.039 Base-Backbone interact. energy: -0.485 local terms energy: -728.602064 where: bonds (distance) C4'-P energy: -140.527 bonds (distance) P-C4' energy: -130.011 flat angles C4'-P-C4' energy: -141.935 flat angles P-C4'-P energy: -104.038 tors. eta vs tors. theta energy: -212.091 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: 6 ===================================== Write number: 386 Temperature: 0.950000 Total energy: -2163.631589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2163.631589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2163.631589 (E_RNA) where: Base-Base interactions energy: -1457.575 where: short stacking energy: -617.882 Base-Backbone interact. energy: -2.341 local terms energy: -703.715864 where: bonds (distance) C4'-P energy: -123.000 bonds (distance) P-C4' energy: -117.480 flat angles C4'-P-C4' energy: -159.765 flat angles P-C4'-P energy: -100.983 tors. eta vs tors. theta energy: -202.489 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 386 Temperature: 1.000000 Total energy: -2148.353309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2148.353309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2148.353309 (E_RNA) where: Base-Base interactions energy: -1479.291 where: short stacking energy: -608.616 Base-Backbone interact. energy: -0.888 local terms energy: -668.174864 where: bonds (distance) C4'-P energy: -116.308 bonds (distance) P-C4' energy: -127.029 flat angles C4'-P-C4' energy: -133.179 flat angles P-C4'-P energy: -101.501 tors. eta vs tors. theta energy: -190.158 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 386 Temperature: 1.050000 Total energy: -2100.901505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2100.901505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2100.901505 (E_RNA) where: Base-Base interactions energy: -1437.570 where: short stacking energy: -605.718 Base-Backbone interact. energy: -1.589 local terms energy: -661.742481 where: bonds (distance) C4'-P energy: -109.740 bonds (distance) P-C4' energy: -131.344 flat angles C4'-P-C4' energy: -140.743 flat angles P-C4'-P energy: -92.662 tors. eta vs tors. theta energy: -187.252 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 386 Temperature: 1.100000 Total energy: -1914.716276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1914.716276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1914.716276 (E_RNA) where: Base-Base interactions energy: -1286.635 where: short stacking energy: -520.962 Base-Backbone interact. energy: -6.068 local terms energy: -622.013366 where: bonds (distance) C4'-P energy: -108.298 bonds (distance) P-C4' energy: -136.857 flat angles C4'-P-C4' energy: -132.000 flat angles P-C4'-P energy: -83.707 tors. eta vs tors. theta energy: -161.152 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 386 Temperature: 1.150000 Total energy: -1678.760162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1678.760162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1678.760162 (E_RNA) where: Base-Base interactions energy: -1073.369 where: short stacking energy: -462.573 Base-Backbone interact. energy: -0.429 local terms energy: -604.961571 where: bonds (distance) C4'-P energy: -121.370 bonds (distance) P-C4' energy: -124.555 flat angles C4'-P-C4' energy: -130.490 flat angles P-C4'-P energy: -82.508 tors. eta vs tors. theta energy: -146.037 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 386 Temperature: 1.200000 Total energy: -1126.269411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1126.269411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1126.269411 (E_RNA) where: Base-Base interactions energy: -668.794 where: short stacking energy: -291.743 Base-Backbone interact. energy: 0.268 local terms energy: -459.657103 where: bonds (distance) C4'-P energy: -112.315 bonds (distance) P-C4' energy: -111.892 flat angles C4'-P-C4' energy: -117.050 flat angles P-C4'-P energy: -77.026 tors. eta vs tors. theta energy: -41.374 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 1.913 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 386 Temperature: 1.250000 Total energy: -904.433212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -904.433212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -904.433212 (E_RNA) where: Base-Base interactions energy: -524.388 where: short stacking energy: -233.877 Base-Backbone interact. energy: 2.877 local terms energy: -382.922462 where: bonds (distance) C4'-P energy: -105.892 bonds (distance) P-C4' energy: -103.339 flat angles C4'-P-C4' energy: -101.579 flat angles P-C4'-P energy: -55.142 tors. eta vs tors. theta energy: -16.971 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 386 Temperature: 1.300000 Total energy: -657.791269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -657.791269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -657.791269 (E_RNA) where: Base-Base interactions energy: -269.466 where: short stacking energy: -151.369 Base-Backbone interact. energy: -1.082 local terms energy: -387.243746 where: bonds (distance) C4'-P energy: -118.101 bonds (distance) P-C4' energy: -118.440 flat angles C4'-P-C4' energy: -102.661 flat angles P-C4'-P energy: -44.935 tors. eta vs tors. theta energy: -3.106 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 386 Temperature: 1.350000 Total energy: -501.086083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -501.086083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -501.086083 (E_RNA) where: Base-Base interactions energy: -160.553 where: short stacking energy: -133.167 Base-Backbone interact. energy: 1.528 local terms energy: -342.060217 where: bonds (distance) C4'-P energy: -105.701 bonds (distance) P-C4' energy: -115.083 flat angles C4'-P-C4' energy: -89.959 flat angles P-C4'-P energy: -54.087 tors. eta vs tors. theta energy: 22.770 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 387 Temperature: 0.900000 Total energy: -2305.338148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2305.338148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2305.338148 (E_RNA) where: Base-Base interactions energy: -1581.481 where: short stacking energy: -656.583 Base-Backbone interact. energy: -1.767 local terms energy: -722.090348 where: bonds (distance) C4'-P energy: -126.184 bonds (distance) P-C4' energy: -142.125 flat angles C4'-P-C4' energy: -147.481 flat angles P-C4'-P energy: -98.691 tors. eta vs tors. theta energy: -207.611 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 387 Temperature: 0.950000 Total energy: -2155.695805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2155.695805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2155.695805 (E_RNA) where: Base-Base interactions energy: -1460.706 where: short stacking energy: -634.477 Base-Backbone interact. energy: -3.138 local terms energy: -691.852015 where: bonds (distance) C4'-P energy: -129.507 bonds (distance) P-C4' energy: -137.201 flat angles C4'-P-C4' energy: -139.101 flat angles P-C4'-P energy: -87.501 tors. eta vs tors. theta energy: -198.543 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: 2 ===================================== Write number: 387 Temperature: 1.000000 Total energy: -2111.355128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2111.355128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2111.355128 (E_RNA) where: Base-Base interactions energy: -1446.236 where: short stacking energy: -593.908 Base-Backbone interact. energy: 0.773 local terms energy: -665.891974 where: bonds (distance) C4'-P energy: -125.238 bonds (distance) P-C4' energy: -115.591 flat angles C4'-P-C4' energy: -145.004 flat angles P-C4'-P energy: -95.864 tors. eta vs tors. theta energy: -184.195 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 387 Temperature: 1.050000 Total energy: -2073.718763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2073.718763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2073.718763 (E_RNA) where: Base-Base interactions energy: -1445.328 where: short stacking energy: -615.017 Base-Backbone interact. energy: -2.329 local terms energy: -626.062189 where: bonds (distance) C4'-P energy: -106.166 bonds (distance) P-C4' energy: -118.545 flat angles C4'-P-C4' energy: -133.142 flat angles P-C4'-P energy: -86.034 tors. eta vs tors. theta energy: -182.176 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 387 Temperature: 1.100000 Total energy: -1873.285991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1873.285991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1873.285991 (E_RNA) where: Base-Base interactions energy: -1258.733 where: short stacking energy: -533.279 Base-Backbone interact. energy: -3.706 local terms energy: -610.847475 where: bonds (distance) C4'-P energy: -111.373 bonds (distance) P-C4' energy: -128.963 flat angles C4'-P-C4' energy: -129.349 flat angles P-C4'-P energy: -79.096 tors. eta vs tors. theta energy: -162.067 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 387 Temperature: 1.150000 Total energy: -1648.132503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1648.132503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1648.132503 (E_RNA) where: Base-Base interactions energy: -1073.702 where: short stacking energy: -457.223 Base-Backbone interact. energy: -1.616 local terms energy: -572.815023 where: bonds (distance) C4'-P energy: -114.054 bonds (distance) P-C4' energy: -117.850 flat angles C4'-P-C4' energy: -129.128 flat angles P-C4'-P energy: -78.112 tors. eta vs tors. theta energy: -133.671 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 387 Temperature: 1.200000 Total energy: -1197.780740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1197.780740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1197.780740 (E_RNA) where: Base-Base interactions energy: -733.562 where: short stacking energy: -340.239 Base-Backbone interact. energy: -0.108 local terms energy: -464.110134 where: bonds (distance) C4'-P energy: -104.454 bonds (distance) P-C4' energy: -115.582 flat angles C4'-P-C4' energy: -103.031 flat angles P-C4'-P energy: -79.896 tors. eta vs tors. theta energy: -61.148 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 387 Temperature: 1.250000 Total energy: -953.527173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -953.527173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -953.527173 (E_RNA) where: Base-Base interactions energy: -525.730 where: short stacking energy: -274.724 Base-Backbone interact. energy: -5.309 local terms energy: -422.487280 where: bonds (distance) C4'-P energy: -106.955 bonds (distance) P-C4' energy: -102.518 flat angles C4'-P-C4' energy: -109.879 flat angles P-C4'-P energy: -57.748 tors. eta vs tors. theta energy: -45.388 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: 9 ===================================== Write number: 387 Temperature: 1.300000 Total energy: -702.931579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -702.931579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -702.931579 (E_RNA) where: Base-Base interactions energy: -301.976 where: short stacking energy: -179.950 Base-Backbone interact. energy: 0.069 local terms energy: -401.024627 where: bonds (distance) C4'-P energy: -124.489 bonds (distance) P-C4' energy: -104.130 flat angles C4'-P-C4' energy: -109.703 flat angles P-C4'-P energy: -70.390 tors. eta vs tors. theta energy: 7.687 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: 4 ===================================== Write number: 387 Temperature: 1.350000 Total energy: -492.956480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -492.956480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -492.956480 (E_RNA) where: Base-Base interactions energy: -166.873 where: short stacking energy: -107.584 Base-Backbone interact. energy: 4.481 local terms energy: -330.564470 where: bonds (distance) C4'-P energy: -107.700 bonds (distance) P-C4' energy: -116.212 flat angles C4'-P-C4' energy: -81.402 flat angles P-C4'-P energy: -72.425 tors. eta vs tors. theta energy: 47.174 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: 1, replica: 8 ===================================== Write number: 388 Temperature: 0.900000 Total energy: -2295.874269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2295.874269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2295.874269 (E_RNA) where: Base-Base interactions energy: -1544.509 where: short stacking energy: -641.201 Base-Backbone interact. energy: -4.411 local terms energy: -746.954320 where: bonds (distance) C4'-P energy: -151.057 bonds (distance) P-C4' energy: -145.538 flat angles C4'-P-C4' energy: -152.611 flat angles P-C4'-P energy: -96.204 tors. eta vs tors. theta energy: -201.545 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 388 Temperature: 0.950000 Total energy: -2130.943571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2130.943571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2130.943571 (E_RNA) where: Base-Base interactions energy: -1416.720 where: short stacking energy: -609.495 Base-Backbone interact. energy: -2.097 local terms energy: -712.126452 where: bonds (distance) C4'-P energy: -129.415 bonds (distance) P-C4' energy: -131.134 flat angles C4'-P-C4' energy: -142.147 flat angles P-C4'-P energy: -111.041 tors. eta vs tors. theta energy: -198.389 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: 2 ===================================== Write number: 388 Temperature: 1.000000 Total energy: -2129.953369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2129.953369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2129.953369 (E_RNA) where: Base-Base interactions energy: -1432.705 where: short stacking energy: -575.460 Base-Backbone interact. energy: 3.416 local terms energy: -700.665050 where: bonds (distance) C4'-P energy: -140.226 bonds (distance) P-C4' energy: -132.435 flat angles C4'-P-C4' energy: -140.928 flat angles P-C4'-P energy: -100.498 tors. eta vs tors. theta energy: -186.579 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 388 Temperature: 1.050000 Total energy: -2063.663208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2063.663208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2063.663208 (E_RNA) where: Base-Base interactions energy: -1393.814 where: short stacking energy: -569.338 Base-Backbone interact. energy: 3.339 local terms energy: -673.188918 where: bonds (distance) C4'-P energy: -129.662 bonds (distance) P-C4' energy: -118.301 flat angles C4'-P-C4' energy: -138.216 flat angles P-C4'-P energy: -102.655 tors. eta vs tors. theta energy: -184.356 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: 5 ===================================== Write number: 388 Temperature: 1.100000 Total energy: -1871.073193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1871.073193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1871.073193 (E_RNA) where: Base-Base interactions energy: -1262.285 where: short stacking energy: -528.812 Base-Backbone interact. energy: -3.420 local terms energy: -605.367642 where: bonds (distance) C4'-P energy: -104.859 bonds (distance) P-C4' energy: -124.716 flat angles C4'-P-C4' energy: -137.436 flat angles P-C4'-P energy: -72.046 tors. eta vs tors. theta energy: -166.309 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: 6, replica: 10 ===================================== Write number: 388 Temperature: 1.150000 Total energy: -1612.101732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1612.101732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1612.101732 (E_RNA) where: Base-Base interactions energy: -1063.226 where: short stacking energy: -423.453 Base-Backbone interact. energy: -3.556 local terms energy: -545.319339 where: bonds (distance) C4'-P energy: -110.546 bonds (distance) P-C4' energy: -124.565 flat angles C4'-P-C4' energy: -128.111 flat angles P-C4'-P energy: -75.861 tors. eta vs tors. theta energy: -106.236 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: 1 ===================================== Write number: 388 Temperature: 1.200000 Total energy: -1244.526037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1244.526037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1244.526037 (E_RNA) where: Base-Base interactions energy: -763.477 where: short stacking energy: -337.571 Base-Backbone interact. energy: -3.169 local terms energy: -477.879986 where: bonds (distance) C4'-P energy: -83.820 bonds (distance) P-C4' energy: -131.939 flat angles C4'-P-C4' energy: -118.318 flat angles P-C4'-P energy: -67.668 tors. eta vs tors. theta energy: -76.135 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 388 Temperature: 1.250000 Total energy: -862.707273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -862.707273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -862.707273 (E_RNA) where: Base-Base interactions energy: -481.057 where: short stacking energy: -223.350 Base-Backbone interact. energy: -2.122 local terms energy: -380.816610 where: bonds (distance) C4'-P energy: -107.388 bonds (distance) P-C4' energy: -116.444 flat angles C4'-P-C4' energy: -80.231 flat angles P-C4'-P energy: -66.041 tors. eta vs tors. theta energy: -10.713 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 1.288 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 388 Temperature: 1.300000 Total energy: -686.698386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -686.698386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -686.698386 (E_RNA) where: Base-Base interactions energy: -305.626 where: short stacking energy: -177.821 Base-Backbone interact. energy: -1.992 local terms energy: -379.080691 where: bonds (distance) C4'-P energy: -107.664 bonds (distance) P-C4' energy: -119.792 flat angles C4'-P-C4' energy: -97.003 flat angles P-C4'-P energy: -68.559 tors. eta vs tors. theta energy: 13.938 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 388 Temperature: 1.350000 Total energy: -475.031457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -475.031457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -475.031457 (E_RNA) where: Base-Base interactions energy: -173.640 where: short stacking energy: -137.495 Base-Backbone interact. energy: 5.105 local terms energy: -306.497040 where: bonds (distance) C4'-P energy: -90.803 bonds (distance) P-C4' energy: -101.717 flat angles C4'-P-C4' energy: -91.608 flat angles P-C4'-P energy: -48.713 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: 1, replica: 8 ===================================== Write number: 389 Temperature: 0.900000 Total energy: -2324.588939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2324.588939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2324.588939 (E_RNA) where: Base-Base interactions energy: -1608.017 where: short stacking energy: -659.086 Base-Backbone interact. energy: -0.000 local terms energy: -716.572054 where: bonds (distance) C4'-P energy: -128.782 bonds (distance) P-C4' energy: -143.349 flat angles C4'-P-C4' energy: -144.002 flat angles P-C4'-P energy: -103.044 tors. eta vs tors. theta energy: -197.395 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 389 Temperature: 0.950000 Total energy: -2206.645664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2206.645664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2206.645664 (E_RNA) where: Base-Base interactions energy: -1526.223 where: short stacking energy: -624.866 Base-Backbone interact. energy: -1.963 local terms energy: -678.460027 where: bonds (distance) C4'-P energy: -121.914 bonds (distance) P-C4' energy: -122.242 flat angles C4'-P-C4' energy: -152.756 flat angles P-C4'-P energy: -92.567 tors. eta vs tors. theta energy: -188.981 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 389 Temperature: 1.000000 Total energy: -2107.863534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2107.863534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2107.863534 (E_RNA) where: Base-Base interactions energy: -1403.643 where: short stacking energy: -612.285 Base-Backbone interact. energy: -1.725 local terms energy: -702.495678 where: bonds (distance) C4'-P energy: -120.219 bonds (distance) P-C4' energy: -134.787 flat angles C4'-P-C4' energy: -143.717 flat angles P-C4'-P energy: -104.198 tors. eta vs tors. theta energy: -199.575 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: 7 ===================================== Write number: 389 Temperature: 1.050000 Total energy: -2078.919411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2078.919411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2078.919411 (E_RNA) where: Base-Base interactions energy: -1404.468 where: short stacking energy: -592.179 Base-Backbone interact. energy: -4.821 local terms energy: -669.630472 where: bonds (distance) C4'-P energy: -129.063 bonds (distance) P-C4' energy: -133.676 flat angles C4'-P-C4' energy: -139.529 flat angles P-C4'-P energy: -85.623 tors. eta vs tors. theta energy: -181.739 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 389 Temperature: 1.100000 Total energy: -1836.202015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1836.202015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1836.202015 (E_RNA) where: Base-Base interactions energy: -1223.581 where: short stacking energy: -523.513 Base-Backbone interact. energy: -2.226 local terms energy: -610.394891 where: bonds (distance) C4'-P energy: -111.404 bonds (distance) P-C4' energy: -122.846 flat angles C4'-P-C4' energy: -131.974 flat angles P-C4'-P energy: -73.138 tors. eta vs tors. theta energy: -171.034 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 389 Temperature: 1.150000 Total energy: -1695.097101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1695.097101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1695.097101 (E_RNA) where: Base-Base interactions energy: -1131.785 where: short stacking energy: -484.326 Base-Backbone interact. energy: -0.477 local terms energy: -562.835383 where: bonds (distance) C4'-P energy: -96.875 bonds (distance) P-C4' energy: -132.174 flat angles C4'-P-C4' energy: -116.916 flat angles P-C4'-P energy: -77.551 tors. eta vs tors. theta energy: -139.320 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 389 Temperature: 1.200000 Total energy: -1215.344477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1215.344477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1215.344477 (E_RNA) where: Base-Base interactions energy: -739.378 where: short stacking energy: -342.029 Base-Backbone interact. energy: -3.875 local terms energy: -472.091470 where: bonds (distance) C4'-P energy: -94.620 bonds (distance) P-C4' energy: -120.974 flat angles C4'-P-C4' energy: -118.999 flat angles P-C4'-P energy: -65.926 tors. eta vs tors. theta energy: -71.572 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: 3 ===================================== Write number: 389 Temperature: 1.250000 Total energy: -869.251737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -869.251737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -869.251737 (E_RNA) where: Base-Base interactions energy: -446.260 where: short stacking energy: -232.863 Base-Backbone interact. energy: 0.791 local terms energy: -423.781848 where: bonds (distance) C4'-P energy: -104.695 bonds (distance) P-C4' energy: -114.874 flat angles C4'-P-C4' energy: -101.106 flat angles P-C4'-P energy: -67.206 tors. eta vs tors. theta energy: -35.900 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: 9 ===================================== Write number: 389 Temperature: 1.300000 Total energy: -698.826171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -698.826171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -698.826171 (E_RNA) where: Base-Base interactions energy: -348.395 where: short stacking energy: -201.945 Base-Backbone interact. energy: 7.428 local terms energy: -357.859136 where: bonds (distance) C4'-P energy: -95.398 bonds (distance) P-C4' energy: -125.867 flat angles C4'-P-C4' energy: -92.118 flat angles P-C4'-P energy: -61.282 tors. eta vs tors. theta energy: 16.806 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: 4 ===================================== Write number: 389 Temperature: 1.350000 Total energy: -498.726909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -498.726909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -498.726909 (E_RNA) where: Base-Base interactions energy: -183.539 where: short stacking energy: -137.862 Base-Backbone interact. energy: 7.770 local terms energy: -322.958564 where: bonds (distance) C4'-P energy: -85.906 bonds (distance) P-C4' energy: -120.338 flat angles C4'-P-C4' energy: -92.286 flat angles P-C4'-P energy: -54.554 tors. eta vs tors. theta energy: 30.124 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 390 Temperature: 0.900000 Total energy: -2310.823261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2310.823261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2310.823261 (E_RNA) where: Base-Base interactions energy: -1592.002 where: short stacking energy: -633.017 Base-Backbone interact. energy: -0.156 local terms energy: -718.665411 where: bonds (distance) C4'-P energy: -135.730 bonds (distance) P-C4' energy: -136.901 flat angles C4'-P-C4' energy: -145.170 flat angles P-C4'-P energy: -99.693 tors. eta vs tors. theta energy: -201.172 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 390 Temperature: 0.950000 Total energy: -2147.681338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2147.681338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2147.681338 (E_RNA) where: Base-Base interactions energy: -1459.159 where: short stacking energy: -601.646 Base-Backbone interact. energy: 1.392 local terms energy: -689.914608 where: bonds (distance) C4'-P energy: -118.504 bonds (distance) P-C4' energy: -123.552 flat angles C4'-P-C4' energy: -148.549 flat angles P-C4'-P energy: -104.818 tors. eta vs tors. theta energy: -194.492 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: 3, replica: 6 ===================================== Write number: 390 Temperature: 1.000000 Total energy: -2086.513558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2086.513558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2086.513558 (E_RNA) where: Base-Base interactions energy: -1403.775 where: short stacking energy: -599.156 Base-Backbone interact. energy: -4.045 local terms energy: -678.693157 where: bonds (distance) C4'-P energy: -130.235 bonds (distance) P-C4' energy: -119.839 flat angles C4'-P-C4' energy: -149.436 flat angles P-C4'-P energy: -92.128 tors. eta vs tors. theta energy: -187.055 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 390 Temperature: 1.050000 Total energy: -2098.446790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2098.446790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2098.446790 (E_RNA) where: Base-Base interactions energy: -1414.958 where: short stacking energy: -585.687 Base-Backbone interact. energy: -1.959 local terms energy: -681.529989 where: bonds (distance) C4'-P energy: -129.224 bonds (distance) P-C4' energy: -113.687 flat angles C4'-P-C4' energy: -145.043 flat angles P-C4'-P energy: -99.042 tors. eta vs tors. theta energy: -194.534 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: 5 ===================================== Write number: 390 Temperature: 1.100000 Total energy: -1806.979206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1806.979206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1806.979206 (E_RNA) where: Base-Base interactions energy: -1184.087 where: short stacking energy: -509.329 Base-Backbone interact. energy: -2.390 local terms energy: -620.502425 where: bonds (distance) C4'-P energy: -118.927 bonds (distance) P-C4' energy: -126.748 flat angles C4'-P-C4' energy: -120.408 flat angles P-C4'-P energy: -98.166 tors. eta vs tors. theta energy: -156.252 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 390 Temperature: 1.150000 Total energy: -1638.289074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1638.289074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1638.289074 (E_RNA) where: Base-Base interactions energy: -1078.496 where: short stacking energy: -458.728 Base-Backbone interact. energy: 2.525 local terms energy: -562.318143 where: bonds (distance) C4'-P energy: -111.919 bonds (distance) P-C4' energy: -110.354 flat angles C4'-P-C4' energy: -120.700 flat angles P-C4'-P energy: -84.009 tors. eta vs tors. theta energy: -135.337 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 390 Temperature: 1.200000 Total energy: -1163.768039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1163.768039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1163.768039 (E_RNA) where: Base-Base interactions energy: -678.148 where: short stacking energy: -336.258 Base-Backbone interact. energy: 2.784 local terms energy: -488.727553 where: bonds (distance) C4'-P energy: -93.371 bonds (distance) P-C4' energy: -118.914 flat angles C4'-P-C4' energy: -128.193 flat angles P-C4'-P energy: -88.637 tors. eta vs tors. theta energy: -59.613 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.324 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 390 Temperature: 1.250000 Total energy: -738.602742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -738.602742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -738.602742 (E_RNA) where: Base-Base interactions energy: -282.709 where: short stacking energy: -192.032 Base-Backbone interact. energy: -1.066 local terms energy: -454.828273 where: bonds (distance) C4'-P energy: -109.414 bonds (distance) P-C4' energy: -124.010 flat angles C4'-P-C4' energy: -133.365 flat angles P-C4'-P energy: -80.351 tors. eta vs tors. theta energy: -7.688 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 390 Temperature: 1.300000 Total energy: -681.649434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -681.649434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -681.649434 (E_RNA) where: Base-Base interactions energy: -314.066 where: short stacking energy: -180.933 Base-Backbone interact. energy: -1.358 local terms energy: -366.226216 where: bonds (distance) C4'-P energy: -112.713 bonds (distance) P-C4' energy: -103.696 flat angles C4'-P-C4' energy: -112.356 flat angles P-C4'-P energy: -49.616 tors. eta vs tors. theta energy: 12.155 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 390 Temperature: 1.350000 Total energy: -523.693194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -523.693194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -523.693194 (E_RNA) where: Base-Base interactions energy: -183.129 where: short stacking energy: -147.848 Base-Backbone interact. energy: -2.683 local terms energy: -337.881408 where: bonds (distance) C4'-P energy: -94.144 bonds (distance) P-C4' energy: -112.239 flat angles C4'-P-C4' energy: -96.986 flat angles P-C4'-P energy: -45.474 tors. eta vs tors. theta energy: 10.962 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: 8 ===================================== Write number: 391 Temperature: 0.900000 Total energy: -2300.904185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2300.904185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2300.904185 (E_RNA) where: Base-Base interactions energy: -1577.863 where: short stacking energy: -637.468 Base-Backbone interact. energy: -3.146 local terms energy: -719.895145 where: bonds (distance) C4'-P energy: -129.154 bonds (distance) P-C4' energy: -131.583 flat angles C4'-P-C4' energy: -153.283 flat angles P-C4'-P energy: -104.379 tors. eta vs tors. theta energy: -201.497 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: 391 Temperature: 0.950000 Total energy: -2137.776038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2137.776038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2137.776038 (E_RNA) where: Base-Base interactions energy: -1451.187 where: short stacking energy: -588.687 Base-Backbone interact. energy: -0.490 local terms energy: -686.098654 where: bonds (distance) C4'-P energy: -117.691 bonds (distance) P-C4' energy: -148.671 flat angles C4'-P-C4' energy: -146.398 flat angles P-C4'-P energy: -91.963 tors. eta vs tors. theta energy: -181.377 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 391 Temperature: 1.000000 Total energy: -2070.177490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2070.177490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2070.177490 (E_RNA) where: Base-Base interactions energy: -1392.806 where: short stacking energy: -604.619 Base-Backbone interact. energy: 2.342 local terms energy: -679.713115 where: bonds (distance) C4'-P energy: -115.881 bonds (distance) P-C4' energy: -116.438 flat angles C4'-P-C4' energy: -153.285 flat angles P-C4'-P energy: -93.214 tors. eta vs tors. theta energy: -200.895 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 391 Temperature: 1.050000 Total energy: -2060.766176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2060.766176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2060.766176 (E_RNA) where: Base-Base interactions energy: -1392.550 where: short stacking energy: -565.749 Base-Backbone interact. energy: -2.667 local terms energy: -665.549519 where: bonds (distance) C4'-P energy: -112.138 bonds (distance) P-C4' energy: -120.504 flat angles C4'-P-C4' energy: -144.979 flat angles P-C4'-P energy: -85.759 tors. eta vs tors. theta energy: -202.168 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 391 Temperature: 1.100000 Total energy: -1879.059251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1879.059251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1879.059251 (E_RNA) where: Base-Base interactions energy: -1222.407 where: short stacking energy: -508.262 Base-Backbone interact. energy: -2.708 local terms energy: -653.944385 where: bonds (distance) C4'-P energy: -123.374 bonds (distance) P-C4' energy: -120.800 flat angles C4'-P-C4' energy: -142.505 flat angles P-C4'-P energy: -105.394 tors. eta vs tors. theta energy: -161.871 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: 10 ===================================== Write number: 391 Temperature: 1.150000 Total energy: -1597.355372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1597.355372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1597.355372 (E_RNA) where: Base-Base interactions energy: -1018.057 where: short stacking energy: -432.672 Base-Backbone interact. energy: -3.087 local terms energy: -576.411454 where: bonds (distance) C4'-P energy: -126.202 bonds (distance) P-C4' energy: -121.340 flat angles C4'-P-C4' energy: -129.060 flat angles P-C4'-P energy: -83.743 tors. eta vs tors. theta energy: -116.065 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.200 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 391 Temperature: 1.200000 Total energy: -1138.854102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1138.854102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1138.854102 (E_RNA) where: Base-Base interactions energy: -672.555 where: short stacking energy: -321.368 Base-Backbone interact. energy: -4.019 local terms energy: -462.280204 where: bonds (distance) C4'-P energy: -122.119 bonds (distance) P-C4' energy: -109.043 flat angles C4'-P-C4' energy: -106.416 flat angles P-C4'-P energy: -71.163 tors. eta vs tors. theta energy: -53.539 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 391 Temperature: 1.250000 Total energy: -838.709748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -838.709748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -838.709748 (E_RNA) where: Base-Base interactions energy: -432.883 where: short stacking energy: -226.977 Base-Backbone interact. energy: -1.542 local terms energy: -404.285046 where: bonds (distance) C4'-P energy: -127.217 bonds (distance) P-C4' energy: -109.308 flat angles C4'-P-C4' energy: -93.204 flat angles P-C4'-P energy: -58.585 tors. eta vs tors. theta energy: -15.971 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 391 Temperature: 1.300000 Total energy: -648.746580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -648.746580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -648.746580 (E_RNA) where: Base-Base interactions energy: -264.960 where: short stacking energy: -172.323 Base-Backbone interact. energy: 4.076 local terms energy: -387.862685 where: bonds (distance) C4'-P energy: -119.193 bonds (distance) P-C4' energy: -115.243 flat angles C4'-P-C4' energy: -96.984 flat angles P-C4'-P energy: -69.245 tors. eta vs tors. theta energy: 12.803 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: 4 ===================================== Write number: 391 Temperature: 1.350000 Total energy: -516.205662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -516.205662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -516.205662 (E_RNA) where: Base-Base interactions energy: -182.146 where: short stacking energy: -103.202 Base-Backbone interact. energy: -3.210 local terms energy: -330.849381 where: bonds (distance) C4'-P energy: -103.576 bonds (distance) P-C4' energy: -91.406 flat angles C4'-P-C4' energy: -93.854 flat angles P-C4'-P energy: -51.687 tors. eta vs tors. theta energy: 9.674 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: 392 Temperature: 0.900000 Total energy: -2308.967490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2308.967490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2308.967490 (E_RNA) where: Base-Base interactions energy: -1585.975 where: short stacking energy: -629.288 Base-Backbone interact. energy: -3.077 local terms energy: -719.914949 where: bonds (distance) C4'-P energy: -137.090 bonds (distance) P-C4' energy: -126.865 flat angles C4'-P-C4' energy: -145.982 flat angles P-C4'-P energy: -104.208 tors. eta vs tors. theta energy: -205.770 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 392 Temperature: 0.950000 Total energy: -2173.108295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2173.108295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2173.108295 (E_RNA) where: Base-Base interactions energy: -1502.484 where: short stacking energy: -621.929 Base-Backbone interact. energy: -0.096 local terms energy: -670.528398 where: bonds (distance) C4'-P energy: -108.055 bonds (distance) P-C4' energy: -130.019 flat angles C4'-P-C4' energy: -146.464 flat angles P-C4'-P energy: -89.143 tors. eta vs tors. theta energy: -196.848 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: 7 ===================================== Write number: 392 Temperature: 1.000000 Total energy: -2131.125271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2131.125271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2131.125271 (E_RNA) where: Base-Base interactions energy: -1436.862 where: short stacking energy: -607.548 Base-Backbone interact. energy: -2.446 local terms energy: -691.817089 where: bonds (distance) C4'-P energy: -124.724 bonds (distance) P-C4' energy: -114.239 flat angles C4'-P-C4' energy: -153.342 flat angles P-C4'-P energy: -104.110 tors. eta vs tors. theta energy: -195.403 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 392 Temperature: 1.050000 Total energy: -2001.836922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2001.836922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2001.836922 (E_RNA) where: Base-Base interactions energy: -1343.381 where: short stacking energy: -579.233 Base-Backbone interact. energy: 0.948 local terms energy: -659.404347 where: bonds (distance) C4'-P energy: -105.003 bonds (distance) P-C4' energy: -134.341 flat angles C4'-P-C4' energy: -136.982 flat angles P-C4'-P energy: -96.408 tors. eta vs tors. theta energy: -186.671 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: 392 Temperature: 1.100000 Total energy: -1913.224937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1913.224937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1913.224937 (E_RNA) where: Base-Base interactions energy: -1283.364 where: short stacking energy: -536.347 Base-Backbone interact. energy: -0.929 local terms energy: -628.932024 where: bonds (distance) C4'-P energy: -112.094 bonds (distance) P-C4' energy: -115.568 flat angles C4'-P-C4' energy: -138.029 flat angles P-C4'-P energy: -90.428 tors. eta vs tors. theta energy: -172.814 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 392 Temperature: 1.150000 Total energy: -1655.499327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1655.499327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1655.499327 (E_RNA) where: Base-Base interactions energy: -1100.065 where: short stacking energy: -476.155 Base-Backbone interact. energy: -3.239 local terms energy: -552.261997 where: bonds (distance) C4'-P energy: -109.127 bonds (distance) P-C4' energy: -128.224 flat angles C4'-P-C4' energy: -110.966 flat angles P-C4'-P energy: -70.213 tors. eta vs tors. theta energy: -133.732 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.067 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 392 Temperature: 1.200000 Total energy: -1199.673041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1199.673041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1199.673041 (E_RNA) where: Base-Base interactions energy: -719.936 where: short stacking energy: -327.387 Base-Backbone interact. energy: 4.232 local terms energy: -483.969568 where: bonds (distance) C4'-P energy: -116.808 bonds (distance) P-C4' energy: -94.544 flat angles C4'-P-C4' energy: -119.922 flat angles P-C4'-P energy: -83.207 tors. eta vs tors. theta energy: -69.488 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 392 Temperature: 1.250000 Total energy: -809.365589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -809.365589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -809.365589 (E_RNA) where: Base-Base interactions energy: -391.053 where: short stacking energy: -246.166 Base-Backbone interact. energy: -0.552 local terms energy: -417.761190 where: bonds (distance) C4'-P energy: -100.132 bonds (distance) P-C4' energy: -119.182 flat angles C4'-P-C4' energy: -101.455 flat angles P-C4'-P energy: -76.618 tors. eta vs tors. theta energy: -20.376 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 392 Temperature: 1.300000 Total energy: -531.319158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -531.319158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -531.319158 (E_RNA) where: Base-Base interactions energy: -192.526 where: short stacking energy: -134.089 Base-Backbone interact. energy: -0.516 local terms energy: -338.277147 where: bonds (distance) C4'-P energy: -99.869 bonds (distance) P-C4' energy: -106.385 flat angles C4'-P-C4' energy: -113.080 flat angles P-C4'-P energy: -55.171 tors. eta vs tors. theta energy: 36.229 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 392 Temperature: 1.350000 Total energy: -579.036947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -579.036947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -579.036947 (E_RNA) where: Base-Base interactions energy: -242.535 where: short stacking energy: -134.336 Base-Backbone interact. energy: -1.274 local terms energy: -335.228187 where: bonds (distance) C4'-P energy: -93.884 bonds (distance) P-C4' energy: -117.037 flat angles C4'-P-C4' energy: -88.362 flat angles P-C4'-P energy: -59.582 tors. eta vs tors. theta energy: 23.637 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 393 Temperature: 0.900000 Total energy: -2306.484525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2306.484525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2306.484525 (E_RNA) where: Base-Base interactions energy: -1569.734 where: short stacking energy: -636.422 Base-Backbone interact. energy: -2.991 local terms energy: -733.759196 where: bonds (distance) C4'-P energy: -134.342 bonds (distance) P-C4' energy: -139.313 flat angles C4'-P-C4' energy: -151.189 flat angles P-C4'-P energy: -100.792 tors. eta vs tors. theta energy: -208.122 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: 7 ===================================== Write number: 393 Temperature: 0.950000 Total energy: -2164.228273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2164.228273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2164.228273 (E_RNA) where: Base-Base interactions energy: -1435.950 where: short stacking energy: -621.206 Base-Backbone interact. energy: -2.185 local terms energy: -726.093388 where: bonds (distance) C4'-P energy: -136.020 bonds (distance) P-C4' energy: -135.617 flat angles C4'-P-C4' energy: -146.085 flat angles P-C4'-P energy: -103.572 tors. eta vs tors. theta energy: -204.798 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 393 Temperature: 1.000000 Total energy: -2095.197521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2095.197521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2095.197521 (E_RNA) where: Base-Base interactions energy: -1440.134 where: short stacking energy: -593.592 Base-Backbone interact. energy: -3.048 local terms energy: -652.015688 where: bonds (distance) C4'-P energy: -118.831 bonds (distance) P-C4' energy: -125.688 flat angles C4'-P-C4' energy: -141.487 flat angles P-C4'-P energy: -85.479 tors. eta vs tors. theta energy: -180.531 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: 4, replica: 6 ===================================== Write number: 393 Temperature: 1.050000 Total energy: -2016.984233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2016.984233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2016.984233 (E_RNA) where: Base-Base interactions energy: -1369.722 where: short stacking energy: -583.535 Base-Backbone interact. energy: 1.830 local terms energy: -649.092658 where: bonds (distance) C4'-P energy: -114.599 bonds (distance) P-C4' energy: -121.657 flat angles C4'-P-C4' energy: -136.467 flat angles P-C4'-P energy: -95.911 tors. eta vs tors. theta energy: -180.459 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 393 Temperature: 1.100000 Total energy: -1900.436206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1900.436206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1900.436206 (E_RNA) where: Base-Base interactions energy: -1272.736 where: short stacking energy: -554.305 Base-Backbone interact. energy: -0.674 local terms energy: -627.026498 where: bonds (distance) C4'-P energy: -122.040 bonds (distance) P-C4' energy: -125.132 flat angles C4'-P-C4' energy: -129.470 flat angles P-C4'-P energy: -85.699 tors. eta vs tors. theta energy: -164.686 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: 6, replica: 10 ===================================== Write number: 393 Temperature: 1.150000 Total energy: -1637.192691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1637.192691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1637.192691 (E_RNA) where: Base-Base interactions energy: -1060.811 where: short stacking energy: -444.646 Base-Backbone interact. energy: -2.234 local terms energy: -574.147050 where: bonds (distance) C4'-P energy: -115.221 bonds (distance) P-C4' energy: -116.443 flat angles C4'-P-C4' energy: -124.562 flat angles P-C4'-P energy: -80.615 tors. eta vs tors. theta energy: -137.306 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: 393 Temperature: 1.200000 Total energy: -1093.511452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1093.511452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1093.511452 (E_RNA) where: Base-Base interactions energy: -609.120 where: short stacking energy: -315.409 Base-Backbone interact. energy: -3.165 local terms energy: -481.226559 where: bonds (distance) C4'-P energy: -116.009 bonds (distance) P-C4' energy: -118.563 flat angles C4'-P-C4' energy: -119.013 flat angles P-C4'-P energy: -67.602 tors. eta vs tors. theta energy: -60.039 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 393 Temperature: 1.250000 Total energy: -788.673136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -788.673136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -788.673136 (E_RNA) where: Base-Base interactions energy: -393.708 where: short stacking energy: -223.241 Base-Backbone interact. energy: 2.791 local terms energy: -397.755859 where: bonds (distance) C4'-P energy: -111.579 bonds (distance) P-C4' energy: -106.899 flat angles C4'-P-C4' energy: -103.472 flat angles P-C4'-P energy: -71.057 tors. eta vs tors. theta energy: -4.748 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 393 Temperature: 1.300000 Total energy: -539.753448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -539.753448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -539.753448 (E_RNA) where: Base-Base interactions energy: -188.611 where: short stacking energy: -147.314 Base-Backbone interact. energy: -2.159 local terms energy: -348.984399 where: bonds (distance) C4'-P energy: -111.572 bonds (distance) P-C4' energy: -112.939 flat angles C4'-P-C4' energy: -90.005 flat angles P-C4'-P energy: -50.236 tors. eta vs tors. theta energy: 15.767 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 393 Temperature: 1.350000 Total energy: -620.773064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -620.773064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -620.773064 (E_RNA) where: Base-Base interactions energy: -280.748 where: short stacking energy: -162.845 Base-Backbone interact. energy: 3.248 local terms energy: -343.272888 where: bonds (distance) C4'-P energy: -89.491 bonds (distance) P-C4' energy: -110.028 flat angles C4'-P-C4' energy: -104.329 flat angles P-C4'-P energy: -45.651 tors. eta vs tors. theta energy: 6.227 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: 8 ===================================== Write number: 394 Temperature: 0.900000 Total energy: -2301.787747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2301.787747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2301.787747 (E_RNA) where: Base-Base interactions energy: -1565.058 where: short stacking energy: -658.633 Base-Backbone interact. energy: -6.800 local terms energy: -729.929251 where: bonds (distance) C4'-P energy: -136.371 bonds (distance) P-C4' energy: -125.907 flat angles C4'-P-C4' energy: -147.400 flat angles P-C4'-P energy: -104.483 tors. eta vs tors. theta energy: -215.768 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 394 Temperature: 0.950000 Total energy: -2199.285004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2199.285004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2199.285004 (E_RNA) where: Base-Base interactions energy: -1503.215 where: short stacking energy: -665.662 Base-Backbone interact. energy: -1.660 local terms energy: -694.409170 where: bonds (distance) C4'-P energy: -119.547 bonds (distance) P-C4' energy: -109.227 flat angles C4'-P-C4' energy: -155.281 flat angles P-C4'-P energy: -96.920 tors. eta vs tors. theta energy: -213.434 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 394 Temperature: 1.000000 Total energy: -2127.017413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2127.017413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2127.017413 (E_RNA) where: Base-Base interactions energy: -1469.199 where: short stacking energy: -608.947 Base-Backbone interact. energy: 0.058 local terms energy: -657.876280 where: bonds (distance) C4'-P energy: -119.244 bonds (distance) P-C4' energy: -121.736 flat angles C4'-P-C4' energy: -141.874 flat angles P-C4'-P energy: -81.974 tors. eta vs tors. theta energy: -193.047 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 394 Temperature: 1.050000 Total energy: -2034.542502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2034.542502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2034.542502 (E_RNA) where: Base-Base interactions energy: -1364.231 where: short stacking energy: -588.033 Base-Backbone interact. energy: -1.898 local terms energy: -668.413188 where: bonds (distance) C4'-P energy: -126.010 bonds (distance) P-C4' energy: -124.144 flat angles C4'-P-C4' energy: -134.496 flat angles P-C4'-P energy: -102.422 tors. eta vs tors. theta energy: -181.341 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 394 Temperature: 1.100000 Total energy: -1904.388193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1904.388193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1904.388193 (E_RNA) where: Base-Base interactions energy: -1256.964 where: short stacking energy: -542.410 Base-Backbone interact. energy: -2.847 local terms energy: -644.577800 where: bonds (distance) C4'-P energy: -131.165 bonds (distance) P-C4' energy: -117.316 flat angles C4'-P-C4' energy: -130.716 flat angles P-C4'-P energy: -83.120 tors. eta vs tors. theta energy: -182.260 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 394 Temperature: 1.150000 Total energy: -1651.293313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1651.293313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1651.293313 (E_RNA) where: Base-Base interactions energy: -1106.961 where: short stacking energy: -466.248 Base-Backbone interact. energy: -3.942 local terms energy: -540.389749 where: bonds (distance) C4'-P energy: -98.097 bonds (distance) P-C4' energy: -106.695 flat angles C4'-P-C4' energy: -123.741 flat angles P-C4'-P energy: -71.853 tors. eta vs tors. theta energy: -140.004 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: 1 ===================================== Write number: 394 Temperature: 1.200000 Total energy: -1124.657161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1124.657161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1124.657161 (E_RNA) where: Base-Base interactions energy: -638.290 where: short stacking energy: -319.925 Base-Backbone interact. energy: -2.436 local terms energy: -483.931023 where: bonds (distance) C4'-P energy: -123.629 bonds (distance) P-C4' energy: -127.598 flat angles C4'-P-C4' energy: -119.843 flat angles P-C4'-P energy: -55.001 tors. eta vs tors. theta energy: -57.859 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 394 Temperature: 1.250000 Total energy: -767.877979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -767.877979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -767.877979 (E_RNA) where: Base-Base interactions energy: -386.665 where: short stacking energy: -222.550 Base-Backbone interact. energy: -2.261 local terms energy: -378.951662 where: bonds (distance) C4'-P energy: -94.110 bonds (distance) P-C4' energy: -110.444 flat angles C4'-P-C4' energy: -108.651 flat angles P-C4'-P energy: -51.301 tors. eta vs tors. theta energy: -14.445 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: 4 ===================================== Write number: 394 Temperature: 1.300000 Total energy: -592.397852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -592.397852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -592.397852 (E_RNA) where: Base-Base interactions energy: -192.473 where: short stacking energy: -135.218 Base-Backbone interact. energy: 0.993 local terms energy: -400.917697 where: bonds (distance) C4'-P energy: -110.197 bonds (distance) P-C4' energy: -128.821 flat angles C4'-P-C4' energy: -103.796 flat angles P-C4'-P energy: -68.537 tors. eta vs tors. theta energy: 10.434 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 394 Temperature: 1.350000 Total energy: -633.898562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -633.898562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -633.898562 (E_RNA) where: Base-Base interactions energy: -271.477 where: short stacking energy: -153.574 Base-Backbone interact. energy: -1.595 local terms energy: -362.202496 where: bonds (distance) C4'-P energy: -102.804 bonds (distance) P-C4' energy: -101.386 flat angles C4'-P-C4' energy: -105.967 flat angles P-C4'-P energy: -60.387 tors. eta vs tors. theta energy: 8.342 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 1.377 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 395 Temperature: 0.900000 Total energy: -2280.962690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2280.962690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2280.962690 (E_RNA) where: Base-Base interactions energy: -1533.910 where: short stacking energy: -623.346 Base-Backbone interact. energy: 0.167 local terms energy: -747.220246 where: bonds (distance) C4'-P energy: -139.385 bonds (distance) P-C4' energy: -134.849 flat angles C4'-P-C4' energy: -155.636 flat angles P-C4'-P energy: -95.867 tors. eta vs tors. theta energy: -221.483 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 395 Temperature: 0.950000 Total energy: -2206.807681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2206.807681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2206.807681 (E_RNA) where: Base-Base interactions energy: -1507.064 where: short stacking energy: -652.942 Base-Backbone interact. energy: -2.391 local terms energy: -697.352712 where: bonds (distance) C4'-P energy: -128.466 bonds (distance) P-C4' energy: -128.103 flat angles C4'-P-C4' energy: -137.687 flat angles P-C4'-P energy: -91.757 tors. eta vs tors. theta energy: -211.340 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 395 Temperature: 1.000000 Total energy: -2137.951020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2137.951020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2137.951020 (E_RNA) where: Base-Base interactions energy: -1447.217 where: short stacking energy: -579.905 Base-Backbone interact. energy: -2.364 local terms energy: -688.370684 where: bonds (distance) C4'-P energy: -129.321 bonds (distance) P-C4' energy: -129.127 flat angles C4'-P-C4' energy: -137.064 flat angles P-C4'-P energy: -92.674 tors. eta vs tors. theta energy: -200.185 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: 395 Temperature: 1.050000 Total energy: -2047.942538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2047.942538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2047.942538 (E_RNA) where: Base-Base interactions energy: -1393.356 where: short stacking energy: -583.704 Base-Backbone interact. energy: -0.990 local terms energy: -653.596038 where: bonds (distance) C4'-P energy: -118.392 bonds (distance) P-C4' energy: -119.400 flat angles C4'-P-C4' energy: -145.601 flat angles P-C4'-P energy: -89.494 tors. eta vs tors. theta energy: -180.708 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: 5 ===================================== Write number: 395 Temperature: 1.100000 Total energy: -1915.007482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1915.007482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1915.007482 (E_RNA) where: Base-Base interactions energy: -1318.404 where: short stacking energy: -533.155 Base-Backbone interact. energy: -0.677 local terms energy: -595.927046 where: bonds (distance) C4'-P energy: -122.194 bonds (distance) P-C4' energy: -111.082 flat angles C4'-P-C4' energy: -140.997 flat angles P-C4'-P energy: -76.849 tors. eta vs tors. theta energy: -144.806 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 395 Temperature: 1.150000 Total energy: -1688.143887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1688.143887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1688.143887 (E_RNA) where: Base-Base interactions energy: -1125.876 where: short stacking energy: -501.479 Base-Backbone interact. energy: -0.020 local terms energy: -562.423643 where: bonds (distance) C4'-P energy: -102.182 bonds (distance) P-C4' energy: -104.024 flat angles C4'-P-C4' energy: -136.365 flat angles P-C4'-P energy: -79.609 tors. eta vs tors. theta energy: -140.243 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.176 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 395 Temperature: 1.200000 Total energy: -1040.558558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1040.558558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1040.558558 (E_RNA) where: Base-Base interactions energy: -603.442 where: short stacking energy: -265.794 Base-Backbone interact. energy: -1.424 local terms energy: -435.693400 where: bonds (distance) C4'-P energy: -111.102 bonds (distance) P-C4' energy: -121.930 flat angles C4'-P-C4' energy: -109.957 flat angles P-C4'-P energy: -65.349 tors. eta vs tors. theta energy: -27.356 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: 3 ===================================== Write number: 395 Temperature: 1.250000 Total energy: -845.000143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -845.000143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -845.000143 (E_RNA) where: Base-Base interactions energy: -426.831 where: short stacking energy: -229.316 Base-Backbone interact. energy: -0.998 local terms energy: -417.170563 where: bonds (distance) C4'-P energy: -107.599 bonds (distance) P-C4' energy: -110.614 flat angles C4'-P-C4' energy: -106.136 flat angles P-C4'-P energy: -62.479 tors. eta vs tors. theta energy: -30.342 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 395 Temperature: 1.300000 Total energy: -566.203055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -566.203055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -566.203055 (E_RNA) where: Base-Base interactions energy: -231.557 where: short stacking energy: -171.716 Base-Backbone interact. energy: -1.398 local terms energy: -333.248333 where: bonds (distance) C4'-P energy: -95.773 bonds (distance) P-C4' energy: -115.675 flat angles C4'-P-C4' energy: -84.166 flat angles P-C4'-P energy: -54.627 tors. eta vs tors. theta energy: 16.993 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: 10, replica: 9 ===================================== Write number: 395 Temperature: 1.350000 Total energy: -650.121185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.121185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -650.121185 (E_RNA) where: Base-Base interactions energy: -300.072 where: short stacking energy: -174.246 Base-Backbone interact. energy: 1.232 local terms energy: -351.281383 where: bonds (distance) C4'-P energy: -84.556 bonds (distance) P-C4' energy: -116.389 flat angles C4'-P-C4' energy: -93.735 flat angles P-C4'-P energy: -67.273 tors. eta vs tors. theta energy: 10.671 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 396 Temperature: 0.900000 Total energy: -2331.613162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2331.613162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2331.613162 (E_RNA) where: Base-Base interactions energy: -1599.546 where: short stacking energy: -660.836 Base-Backbone interact. energy: -1.844 local terms energy: -730.223613 where: bonds (distance) C4'-P energy: -136.548 bonds (distance) P-C4' energy: -142.566 flat angles C4'-P-C4' energy: -147.708 flat angles P-C4'-P energy: -99.385 tors. eta vs tors. theta energy: -204.017 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 396 Temperature: 0.950000 Total energy: -2187.311717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2187.311717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2187.311717 (E_RNA) where: Base-Base interactions energy: -1476.660 where: short stacking energy: -642.463 Base-Backbone interact. energy: -1.588 local terms energy: -709.063094 where: bonds (distance) C4'-P energy: -135.644 bonds (distance) P-C4' energy: -122.293 flat angles C4'-P-C4' energy: -150.399 flat angles P-C4'-P energy: -100.115 tors. eta vs tors. theta energy: -200.611 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: 396 Temperature: 1.000000 Total energy: -2075.466097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2075.466097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2075.466097 (E_RNA) where: Base-Base interactions energy: -1403.584 where: short stacking energy: -577.157 Base-Backbone interact. energy: -2.003 local terms energy: -669.878994 where: bonds (distance) C4'-P energy: -127.535 bonds (distance) P-C4' energy: -128.376 flat angles C4'-P-C4' energy: -138.653 flat angles P-C4'-P energy: -93.331 tors. eta vs tors. theta energy: -181.984 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 396 Temperature: 1.050000 Total energy: -2019.964825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2019.964825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2019.964825 (E_RNA) where: Base-Base interactions energy: -1388.595 where: short stacking energy: -568.853 Base-Backbone interact. energy: 1.276 local terms energy: -632.646255 where: bonds (distance) C4'-P energy: -106.413 bonds (distance) P-C4' energy: -131.094 flat angles C4'-P-C4' energy: -128.148 flat angles P-C4'-P energy: -88.699 tors. eta vs tors. theta energy: -178.292 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 396 Temperature: 1.100000 Total energy: -1948.839458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1948.839458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1948.839458 (E_RNA) where: Base-Base interactions energy: -1312.771 where: short stacking energy: -567.853 Base-Backbone interact. energy: -2.005 local terms energy: -634.063159 where: bonds (distance) C4'-P energy: -106.949 bonds (distance) P-C4' energy: -135.207 flat angles C4'-P-C4' energy: -131.582 flat angles P-C4'-P energy: -74.505 tors. eta vs tors. theta energy: -185.820 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: 10 ===================================== Write number: 396 Temperature: 1.150000 Total energy: -1681.483750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1681.483750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1681.483750 (E_RNA) where: Base-Base interactions energy: -1091.139 where: short stacking energy: -488.960 Base-Backbone interact. energy: 0.120 local terms energy: -590.464295 where: bonds (distance) C4'-P energy: -115.416 bonds (distance) P-C4' energy: -117.692 flat angles C4'-P-C4' energy: -143.575 flat angles P-C4'-P energy: -70.260 tors. eta vs tors. theta energy: -143.520 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 396 Temperature: 1.200000 Total energy: -1041.106508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1041.106508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1041.106508 (E_RNA) where: Base-Base interactions energy: -640.717 where: short stacking energy: -290.085 Base-Backbone interact. energy: 5.473 local terms energy: -406.919436 where: bonds (distance) C4'-P energy: -99.588 bonds (distance) P-C4' energy: -106.325 flat angles C4'-P-C4' energy: -96.532 flat angles P-C4'-P energy: -73.943 tors. eta vs tors. theta energy: -30.532 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 1.057 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 396 Temperature: 1.250000 Total energy: -828.493222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -828.493222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -828.493222 (E_RNA) where: Base-Base interactions energy: -427.362 where: short stacking energy: -225.194 Base-Backbone interact. energy: -0.473 local terms energy: -400.658692 where: bonds (distance) C4'-P energy: -118.050 bonds (distance) P-C4' energy: -110.442 flat angles C4'-P-C4' energy: -94.975 flat angles P-C4'-P energy: -60.370 tors. eta vs tors. theta energy: -16.822 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: 9 ===================================== Write number: 396 Temperature: 1.300000 Total energy: -651.351912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -651.351912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -651.351912 (E_RNA) where: Base-Base interactions energy: -283.505 where: short stacking energy: -153.021 Base-Backbone interact. energy: -4.423 local terms energy: -363.423834 where: bonds (distance) C4'-P energy: -100.510 bonds (distance) P-C4' energy: -121.579 flat angles C4'-P-C4' energy: -104.483 flat angles P-C4'-P energy: -70.584 tors. eta vs tors. theta energy: 33.732 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 396 Temperature: 1.350000 Total energy: -505.721412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -505.721412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -505.721412 (E_RNA) where: Base-Base interactions energy: -171.276 where: short stacking energy: -123.095 Base-Backbone interact. energy: 0.545 local terms energy: -334.990666 where: bonds (distance) C4'-P energy: -104.924 bonds (distance) P-C4' energy: -126.667 flat angles C4'-P-C4' energy: -83.350 flat angles P-C4'-P energy: -67.220 tors. eta vs tors. theta energy: 47.170 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: 1, replica: 8 ===================================== Write number: 397 Temperature: 0.900000 Total energy: -2311.805694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2311.805694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2311.805694 (E_RNA) where: Base-Base interactions energy: -1565.397 where: short stacking energy: -653.655 Base-Backbone interact. energy: -1.453 local terms energy: -744.955595 where: bonds (distance) C4'-P energy: -127.501 bonds (distance) P-C4' energy: -141.932 flat angles C4'-P-C4' energy: -145.170 flat angles P-C4'-P energy: -113.110 tors. eta vs tors. theta energy: -217.242 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: 7 ===================================== Write number: 397 Temperature: 0.950000 Total energy: -2181.817937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2181.817937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2181.817937 (E_RNA) where: Base-Base interactions energy: -1460.218 where: short stacking energy: -606.532 Base-Backbone interact. energy: -2.167 local terms energy: -719.433024 where: bonds (distance) C4'-P energy: -129.228 bonds (distance) P-C4' energy: -139.838 flat angles C4'-P-C4' energy: -147.893 flat angles P-C4'-P energy: -100.405 tors. eta vs tors. theta energy: -202.069 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 397 Temperature: 1.000000 Total energy: -2113.875099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2113.875099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2113.875099 (E_RNA) where: Base-Base interactions energy: -1439.497 where: short stacking energy: -615.777 Base-Backbone interact. energy: -1.982 local terms energy: -672.396352 where: bonds (distance) C4'-P energy: -115.445 bonds (distance) P-C4' energy: -127.440 flat angles C4'-P-C4' energy: -138.228 flat angles P-C4'-P energy: -99.011 tors. eta vs tors. theta energy: -192.272 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 397 Temperature: 1.050000 Total energy: -2011.403305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2011.403305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2011.403305 (E_RNA) where: Base-Base interactions energy: -1321.489 where: short stacking energy: -562.300 Base-Backbone interact. energy: 2.018 local terms energy: -691.932207 where: bonds (distance) C4'-P energy: -147.001 bonds (distance) P-C4' energy: -123.497 flat angles C4'-P-C4' energy: -142.224 flat angles P-C4'-P energy: -99.017 tors. eta vs tors. theta energy: -180.192 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: 5, replica: 2 ===================================== Write number: 397 Temperature: 1.100000 Total energy: -1933.228285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1933.228285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1933.228285 (E_RNA) where: Base-Base interactions energy: -1308.106 where: short stacking energy: -546.484 Base-Backbone interact. energy: -3.555 local terms energy: -621.567007 where: bonds (distance) C4'-P energy: -126.012 bonds (distance) P-C4' energy: -113.589 flat angles C4'-P-C4' energy: -126.259 flat angles P-C4'-P energy: -93.254 tors. eta vs tors. theta energy: -162.453 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 397 Temperature: 1.150000 Total energy: -1644.328379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1644.328379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1644.328379 (E_RNA) where: Base-Base interactions energy: -1062.807 where: short stacking energy: -451.250 Base-Backbone interact. energy: -2.375 local terms energy: -579.145755 where: bonds (distance) C4'-P energy: -118.126 bonds (distance) P-C4' energy: -119.077 flat angles C4'-P-C4' energy: -127.382 flat angles P-C4'-P energy: -75.755 tors. eta vs tors. theta energy: -138.807 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: 1 ===================================== Write number: 397 Temperature: 1.200000 Total energy: -1047.067043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1047.067043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1047.067043 (E_RNA) where: Base-Base interactions energy: -632.739 where: short stacking energy: -302.417 Base-Backbone interact. energy: -4.642 local terms energy: -409.685741 where: bonds (distance) C4'-P energy: -95.069 bonds (distance) P-C4' energy: -107.030 flat angles C4'-P-C4' energy: -115.458 flat angles P-C4'-P energy: -64.047 tors. eta vs tors. theta energy: -28.083 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 397 Temperature: 1.250000 Total energy: -731.954178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -731.954178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -731.954178 (E_RNA) where: Base-Base interactions energy: -358.165 where: short stacking energy: -245.105 Base-Backbone interact. energy: 1.912 local terms energy: -375.701252 where: bonds (distance) C4'-P energy: -117.589 bonds (distance) P-C4' energy: -112.497 flat angles C4'-P-C4' energy: -89.791 flat angles P-C4'-P energy: -37.214 tors. eta vs tors. theta energy: -18.610 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 397 Temperature: 1.300000 Total energy: -727.730908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -727.730908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -727.730908 (E_RNA) where: Base-Base interactions energy: -356.794 where: short stacking energy: -201.477 Base-Backbone interact. energy: -1.565 local terms energy: -369.371692 where: bonds (distance) C4'-P energy: -93.159 bonds (distance) P-C4' energy: -104.172 flat angles C4'-P-C4' energy: -136.195 flat angles P-C4'-P energy: -39.320 tors. eta vs tors. theta energy: 3.474 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: 4 ===================================== Write number: 397 Temperature: 1.350000 Total energy: -475.291300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -475.291300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -475.291300 (E_RNA) where: Base-Base interactions energy: -170.108 where: short stacking energy: -148.469 Base-Backbone interact. energy: 3.286 local terms energy: -308.468996 where: bonds (distance) C4'-P energy: -103.015 bonds (distance) P-C4' energy: -100.274 flat angles C4'-P-C4' energy: -95.971 flat angles P-C4'-P energy: -49.718 tors. eta vs tors. theta energy: 40.509 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 398 Temperature: 0.900000 Total energy: -2282.639975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2282.639975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2282.639975 (E_RNA) where: Base-Base interactions energy: -1536.754 where: short stacking energy: -610.004 Base-Backbone interact. energy: -1.698 local terms energy: -744.187470 where: bonds (distance) C4'-P energy: -142.104 bonds (distance) P-C4' energy: -139.988 flat angles C4'-P-C4' energy: -159.075 flat angles P-C4'-P energy: -98.737 tors. eta vs tors. theta energy: -204.283 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 398 Temperature: 0.950000 Total energy: -2218.735768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2218.735768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2218.735768 (E_RNA) where: Base-Base interactions energy: -1497.497 where: short stacking energy: -654.600 Base-Backbone interact. energy: -1.881 local terms energy: -719.357155 where: bonds (distance) C4'-P energy: -144.415 bonds (distance) P-C4' energy: -128.056 flat angles C4'-P-C4' energy: -141.041 flat angles P-C4'-P energy: -102.144 tors. eta vs tors. theta energy: -203.702 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: 398 Temperature: 1.000000 Total energy: -2128.940471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2128.940471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2128.940471 (E_RNA) where: Base-Base interactions energy: -1450.798 where: short stacking energy: -604.056 Base-Backbone interact. energy: -2.170 local terms energy: -675.972520 where: bonds (distance) C4'-P energy: -116.882 bonds (distance) P-C4' energy: -130.267 flat angles C4'-P-C4' energy: -147.230 flat angles P-C4'-P energy: -86.319 tors. eta vs tors. theta energy: -195.275 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 398 Temperature: 1.050000 Total energy: -1969.113764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1969.113764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1969.113764 (E_RNA) where: Base-Base interactions energy: -1329.331 where: short stacking energy: -556.003 Base-Backbone interact. energy: -0.173 local terms energy: -639.610341 where: bonds (distance) C4'-P energy: -123.440 bonds (distance) P-C4' energy: -109.814 flat angles C4'-P-C4' energy: -136.373 flat angles P-C4'-P energy: -96.895 tors. eta vs tors. theta energy: -173.089 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 398 Temperature: 1.100000 Total energy: -1977.102717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1977.102717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1977.102717 (E_RNA) where: Base-Base interactions energy: -1346.121 where: short stacking energy: -555.032 Base-Backbone interact. energy: -0.401 local terms energy: -630.580463 where: bonds (distance) C4'-P energy: -123.846 bonds (distance) P-C4' energy: -108.704 flat angles C4'-P-C4' energy: -139.899 flat angles P-C4'-P energy: -69.622 tors. eta vs tors. theta energy: -188.509 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 398 Temperature: 1.150000 Total energy: -1690.253841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1690.253841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1690.253841 (E_RNA) where: Base-Base interactions energy: -1098.900 where: short stacking energy: -470.152 Base-Backbone interact. energy: -3.623 local terms energy: -587.730676 where: bonds (distance) C4'-P energy: -120.319 bonds (distance) P-C4' energy: -118.191 flat angles C4'-P-C4' energy: -130.896 flat angles P-C4'-P energy: -91.819 tors. eta vs tors. theta energy: -126.506 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 398 Temperature: 1.200000 Total energy: -1069.499083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1069.499083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1069.499083 (E_RNA) where: Base-Base interactions energy: -585.055 where: short stacking energy: -287.419 Base-Backbone interact. energy: 0.997 local terms energy: -485.441321 where: bonds (distance) C4'-P energy: -116.920 bonds (distance) P-C4' energy: -124.671 flat angles C4'-P-C4' energy: -119.534 flat angles P-C4'-P energy: -73.924 tors. eta vs tors. theta energy: -50.391 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 398 Temperature: 1.250000 Total energy: -702.829825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -702.829825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -702.829825 (E_RNA) where: Base-Base interactions energy: -306.124 where: short stacking energy: -192.721 Base-Backbone interact. energy: -2.682 local terms energy: -394.023720 where: bonds (distance) C4'-P energy: -111.750 bonds (distance) P-C4' energy: -125.504 flat angles C4'-P-C4' energy: -90.487 flat angles P-C4'-P energy: -53.145 tors. eta vs tors. theta energy: -13.138 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 398 Temperature: 1.300000 Total energy: -688.980234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -688.980234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -688.980234 (E_RNA) where: Base-Base interactions energy: -306.805 where: short stacking energy: -175.289 Base-Backbone interact. energy: -1.601 local terms energy: -382.037374 where: bonds (distance) C4'-P energy: -93.572 bonds (distance) P-C4' energy: -116.373 flat angles C4'-P-C4' energy: -106.840 flat angles P-C4'-P energy: -59.692 tors. eta vs tors. theta energy: -5.560 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 1.463 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 398 Temperature: 1.350000 Total energy: -473.772509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -473.772509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -473.772509 (E_RNA) where: Base-Base interactions energy: -166.409 where: short stacking energy: -136.988 Base-Backbone interact. energy: -3.004 local terms energy: -304.359163 where: bonds (distance) C4'-P energy: -85.965 bonds (distance) P-C4' energy: -125.331 flat angles C4'-P-C4' energy: -79.344 flat angles P-C4'-P energy: -44.262 tors. eta vs tors. theta energy: 30.544 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 399 Temperature: 0.900000 Total energy: -2268.605082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2268.605082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2268.605082 (E_RNA) where: Base-Base interactions energy: -1544.580 where: short stacking energy: -653.983 Base-Backbone interact. energy: 0.530 local terms energy: -724.555143 where: bonds (distance) C4'-P energy: -142.492 bonds (distance) P-C4' energy: -131.928 flat angles C4'-P-C4' energy: -139.725 flat angles P-C4'-P energy: -102.041 tors. eta vs tors. theta energy: -208.370 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: 2, replica: 7 ===================================== Write number: 399 Temperature: 0.950000 Total energy: -2211.439737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2211.439737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2211.439737 (E_RNA) where: Base-Base interactions energy: -1479.167 where: short stacking energy: -631.599 Base-Backbone interact. energy: -1.189 local terms energy: -731.084160 where: bonds (distance) C4'-P energy: -125.119 bonds (distance) P-C4' energy: -146.126 flat angles C4'-P-C4' energy: -151.057 flat angles P-C4'-P energy: -99.194 tors. eta vs tors. theta energy: -209.588 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 399 Temperature: 1.000000 Total energy: -2105.378563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2105.378563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2105.378563 (E_RNA) where: Base-Base interactions energy: -1393.666 where: short stacking energy: -601.745 Base-Backbone interact. energy: -1.563 local terms energy: -710.149909 where: bonds (distance) C4'-P energy: -136.680 bonds (distance) P-C4' energy: -130.441 flat angles C4'-P-C4' energy: -145.900 flat angles P-C4'-P energy: -94.960 tors. eta vs tors. theta energy: -202.168 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 399 Temperature: 1.050000 Total energy: -2033.897253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2033.897253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2033.897253 (E_RNA) where: Base-Base interactions energy: -1381.602 where: short stacking energy: -559.583 Base-Backbone interact. energy: -2.333 local terms energy: -649.962082 where: bonds (distance) C4'-P energy: -117.231 bonds (distance) P-C4' energy: -118.732 flat angles C4'-P-C4' energy: -140.709 flat angles P-C4'-P energy: -89.340 tors. eta vs tors. theta energy: -183.950 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: 5 ===================================== Write number: 399 Temperature: 1.100000 Total energy: -1876.487619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1876.487619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1876.487619 (E_RNA) where: Base-Base interactions energy: -1259.909 where: short stacking energy: -546.733 Base-Backbone interact. energy: -0.947 local terms energy: -615.631639 where: bonds (distance) C4'-P energy: -113.172 bonds (distance) P-C4' energy: -115.522 flat angles C4'-P-C4' energy: -135.276 flat angles P-C4'-P energy: -81.901 tors. eta vs tors. theta energy: -169.760 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 399 Temperature: 1.150000 Total energy: -1579.396545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1579.396545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1579.396545 (E_RNA) where: Base-Base interactions energy: -1004.733 where: short stacking energy: -438.295 Base-Backbone interact. energy: -1.360 local terms energy: -573.304484 where: bonds (distance) C4'-P energy: -109.788 bonds (distance) P-C4' energy: -125.733 flat angles C4'-P-C4' energy: -126.188 flat angles P-C4'-P energy: -79.670 tors. eta vs tors. theta energy: -131.924 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 399 Temperature: 1.200000 Total energy: -1212.736389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1212.736389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1212.736389 (E_RNA) where: Base-Base interactions energy: -754.012 where: short stacking energy: -311.409 Base-Backbone interact. energy: 1.590 local terms energy: -460.314054 where: bonds (distance) C4'-P energy: -122.372 bonds (distance) P-C4' energy: -118.740 flat angles C4'-P-C4' energy: -102.432 flat angles P-C4'-P energy: -66.067 tors. eta vs tors. theta energy: -50.702 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 399 Temperature: 1.250000 Total energy: -839.584694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -839.584694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -839.584694 (E_RNA) where: Base-Base interactions energy: -443.564 where: short stacking energy: -225.432 Base-Backbone interact. energy: -2.039 local terms energy: -393.981697 where: bonds (distance) C4'-P energy: -112.908 bonds (distance) P-C4' energy: -120.230 flat angles C4'-P-C4' energy: -94.614 flat angles P-C4'-P energy: -55.561 tors. eta vs tors. theta energy: -10.669 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 399 Temperature: 1.300000 Total energy: -715.439770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -715.439770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -715.439770 (E_RNA) where: Base-Base interactions energy: -335.069 where: short stacking energy: -214.886 Base-Backbone interact. energy: -1.150 local terms energy: -379.221211 where: bonds (distance) C4'-P energy: -103.768 bonds (distance) P-C4' energy: -114.382 flat angles C4'-P-C4' energy: -87.096 flat angles P-C4'-P energy: -56.738 tors. eta vs tors. theta energy: -17.238 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: 4 ===================================== Write number: 399 Temperature: 1.350000 Total energy: -501.190697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -501.190697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -501.190697 (E_RNA) where: Base-Base interactions energy: -169.772 where: short stacking energy: -134.407 Base-Backbone interact. energy: 10.863 local terms energy: -342.281652 where: bonds (distance) C4'-P energy: -118.927 bonds (distance) P-C4' energy: -96.084 flat angles C4'-P-C4' energy: -92.059 flat angles P-C4'-P energy: -59.691 tors. eta vs tors. theta energy: 24.479 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: 8 ===================================== Write number: 400 Temperature: 0.900000 Total energy: -2273.523078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2273.523078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2273.523078 (E_RNA) where: Base-Base interactions energy: -1560.135 where: short stacking energy: -644.651 Base-Backbone interact. energy: -2.083 local terms energy: -711.305237 where: bonds (distance) C4'-P energy: -121.438 bonds (distance) P-C4' energy: -134.934 flat angles C4'-P-C4' energy: -150.455 flat angles P-C4'-P energy: -99.276 tors. eta vs tors. theta energy: -205.203 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: 7 ===================================== Write number: 400 Temperature: 0.950000 Total energy: -2211.276516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2211.276516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2211.276516 (E_RNA) where: Base-Base interactions energy: -1503.758 where: short stacking energy: -625.637 Base-Backbone interact. energy: -1.003 local terms energy: -706.515192 where: bonds (distance) C4'-P energy: -122.910 bonds (distance) P-C4' energy: -135.336 flat angles C4'-P-C4' energy: -153.288 flat angles P-C4'-P energy: -97.691 tors. eta vs tors. theta energy: -197.290 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 400 Temperature: 1.000000 Total energy: -2121.397802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2121.397802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2121.397802 (E_RNA) where: Base-Base interactions energy: -1410.893 where: short stacking energy: -616.032 Base-Backbone interact. energy: -1.911 local terms energy: -708.593272 where: bonds (distance) C4'-P energy: -124.335 bonds (distance) P-C4' energy: -121.628 flat angles C4'-P-C4' energy: -152.195 flat angles P-C4'-P energy: -107.799 tors. eta vs tors. theta energy: -202.636 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: 2 ===================================== Write number: 400 Temperature: 1.050000 Total energy: -2044.300083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2044.300083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2044.300083 (E_RNA) where: Base-Base interactions energy: -1376.360 where: short stacking energy: -578.317 Base-Backbone interact. energy: -2.220 local terms energy: -665.719746 where: bonds (distance) C4'-P energy: -121.388 bonds (distance) P-C4' energy: -119.549 flat angles C4'-P-C4' energy: -141.424 flat angles P-C4'-P energy: -88.265 tors. eta vs tors. theta energy: -195.093 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 400 Temperature: 1.100000 Total energy: -1870.226316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1870.226316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1870.226316 (E_RNA) where: Base-Base interactions energy: -1250.414 where: short stacking energy: -560.213 Base-Backbone interact. energy: -2.438 local terms energy: -617.374578 where: bonds (distance) C4'-P energy: -119.797 bonds (distance) P-C4' energy: -98.480 flat angles C4'-P-C4' energy: -136.312 flat angles P-C4'-P energy: -97.101 tors. eta vs tors. theta energy: -165.685 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 400 Temperature: 1.150000 Total energy: -1531.948547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1531.948547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1531.948547 (E_RNA) where: Base-Base interactions energy: -995.692 where: short stacking energy: -419.328 Base-Backbone interact. energy: -2.265 local terms energy: -533.992039 where: bonds (distance) C4'-P energy: -108.120 bonds (distance) P-C4' energy: -109.889 flat angles C4'-P-C4' energy: -110.538 flat angles P-C4'-P energy: -85.872 tors. eta vs tors. theta energy: -119.574 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: 7, replica: 1 ===================================== Write number: 400 Temperature: 1.200000 Total energy: -1227.123672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1227.123672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1227.123672 (E_RNA) where: Base-Base interactions energy: -740.683 where: short stacking energy: -347.172 Base-Backbone interact. energy: -1.164 local terms energy: -485.276906 where: bonds (distance) C4'-P energy: -121.609 bonds (distance) P-C4' energy: -116.029 flat angles C4'-P-C4' energy: -104.018 flat angles P-C4'-P energy: -65.237 tors. eta vs tors. theta energy: -78.384 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: 3 ===================================== Write number: 400 Temperature: 1.250000 Total energy: -903.669308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -903.669308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -903.669308 (E_RNA) where: Base-Base interactions energy: -500.235 where: short stacking energy: -240.705 Base-Backbone interact. energy: -0.178 local terms energy: -403.256331 where: bonds (distance) C4'-P energy: -113.088 bonds (distance) P-C4' energy: -107.542 flat angles C4'-P-C4' energy: -90.335 flat angles P-C4'-P energy: -70.513 tors. eta vs tors. theta energy: -21.779 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 400 Temperature: 1.300000 Total energy: -707.095435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -707.095435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -707.095435 (E_RNA) where: Base-Base interactions energy: -335.637 where: short stacking energy: -186.802 Base-Backbone interact. energy: 1.093 local terms energy: -372.551676 where: bonds (distance) C4'-P energy: -84.696 bonds (distance) P-C4' energy: -114.876 flat angles C4'-P-C4' energy: -108.079 flat angles P-C4'-P energy: -65.268 tors. eta vs tors. theta energy: 0.367 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: 4 ===================================== Write number: 400 Temperature: 1.350000 Total energy: -500.135392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -500.135392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -500.135392 (E_RNA) where: Base-Base interactions energy: -181.822 where: short stacking energy: -139.964 Base-Backbone interact. energy: 1.313 local terms energy: -319.626824 where: bonds (distance) C4'-P energy: -95.259 bonds (distance) P-C4' energy: -108.586 flat angles C4'-P-C4' energy: -84.013 flat angles P-C4'-P energy: -58.751 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: 1, replica: 8 ===================================== Write number: 401 Temperature: 0.900000 Total energy: -2314.598024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2314.598024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2314.598024 (E_RNA) where: Base-Base interactions energy: -1567.708 where: short stacking energy: -644.553 Base-Backbone interact. energy: -0.917 local terms energy: -745.973161 where: bonds (distance) C4'-P energy: -125.275 bonds (distance) P-C4' energy: -134.407 flat angles C4'-P-C4' energy: -160.354 flat angles P-C4'-P energy: -110.953 tors. eta vs tors. theta energy: -214.984 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 401 Temperature: 0.950000 Total energy: -2219.057089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2219.057089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2219.057089 (E_RNA) where: Base-Base interactions energy: -1494.777 where: short stacking energy: -629.119 Base-Backbone interact. energy: -3.038 local terms energy: -721.241831 where: bonds (distance) C4'-P energy: -119.671 bonds (distance) P-C4' energy: -140.150 flat angles C4'-P-C4' energy: -142.708 flat angles P-C4'-P energy: -100.609 tors. eta vs tors. theta energy: -218.105 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 401 Temperature: 1.000000 Total energy: -2119.929252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2119.929252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2119.929252 (E_RNA) where: Base-Base interactions energy: -1430.180 where: short stacking energy: -619.520 Base-Backbone interact. energy: -1.601 local terms energy: -688.148613 where: bonds (distance) C4'-P energy: -125.054 bonds (distance) P-C4' energy: -129.054 flat angles C4'-P-C4' energy: -142.052 flat angles P-C4'-P energy: -100.426 tors. eta vs tors. theta energy: -191.562 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: 4, replica: 2 ===================================== Write number: 401 Temperature: 1.050000 Total energy: -2034.952191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2034.952191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2034.952191 (E_RNA) where: Base-Base interactions energy: -1372.285 where: short stacking energy: -574.628 Base-Backbone interact. energy: -1.108 local terms energy: -661.558968 where: bonds (distance) C4'-P energy: -124.096 bonds (distance) P-C4' energy: -114.824 flat angles C4'-P-C4' energy: -139.812 flat angles P-C4'-P energy: -94.726 tors. eta vs tors. theta energy: -188.102 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 401 Temperature: 1.100000 Total energy: -1869.066727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1869.066727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1869.066727 (E_RNA) where: Base-Base interactions energy: -1260.124 where: short stacking energy: -544.217 Base-Backbone interact. energy: -2.320 local terms energy: -606.786177 where: bonds (distance) C4'-P energy: -125.147 bonds (distance) P-C4' energy: -120.090 flat angles C4'-P-C4' energy: -107.660 flat angles P-C4'-P energy: -99.746 tors. eta vs tors. theta energy: -154.143 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.164 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 401 Temperature: 1.150000 Total energy: -1552.260609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1552.260609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1552.260609 (E_RNA) where: Base-Base interactions energy: -1009.099 where: short stacking energy: -445.274 Base-Backbone interact. energy: 0.917 local terms energy: -544.079429 where: bonds (distance) C4'-P energy: -122.737 bonds (distance) P-C4' energy: -112.981 flat angles C4'-P-C4' energy: -118.852 flat angles P-C4'-P energy: -70.369 tors. eta vs tors. theta energy: -119.141 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 401 Temperature: 1.200000 Total energy: -1217.464081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1217.464081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1217.464081 (E_RNA) where: Base-Base interactions energy: -771.317 where: short stacking energy: -323.562 Base-Backbone interact. energy: 0.050 local terms energy: -446.196410 where: bonds (distance) C4'-P energy: -108.535 bonds (distance) P-C4' energy: -102.804 flat angles C4'-P-C4' energy: -104.258 flat angles P-C4'-P energy: -73.346 tors. eta vs tors. theta energy: -57.253 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 401 Temperature: 1.250000 Total energy: -861.781502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -861.781502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -861.781502 (E_RNA) where: Base-Base interactions energy: -466.854 where: short stacking energy: -268.225 Base-Backbone interact. energy: -2.091 local terms energy: -392.836869 where: bonds (distance) C4'-P energy: -108.985 bonds (distance) P-C4' energy: -107.522 flat angles C4'-P-C4' energy: -91.503 flat angles P-C4'-P energy: -61.521 tors. eta vs tors. theta energy: -23.306 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 401 Temperature: 1.300000 Total energy: -688.747143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -688.747143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -688.747143 (E_RNA) where: Base-Base interactions energy: -307.081 where: short stacking energy: -179.903 Base-Backbone interact. energy: 1.358 local terms energy: -383.024801 where: bonds (distance) C4'-P energy: -124.542 bonds (distance) P-C4' energy: -118.413 flat angles C4'-P-C4' energy: -101.471 flat angles P-C4'-P energy: -45.538 tors. eta vs tors. theta energy: 6.939 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 401 Temperature: 1.350000 Total energy: -501.719510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -501.719510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -501.719510 (E_RNA) where: Base-Base interactions energy: -190.864 where: short stacking energy: -135.177 Base-Backbone interact. energy: 0.929 local terms energy: -311.785056 where: bonds (distance) C4'-P energy: -97.626 bonds (distance) P-C4' energy: -98.921 flat angles C4'-P-C4' energy: -98.407 flat angles P-C4'-P energy: -42.841 tors. eta vs tors. theta energy: 26.011 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: 8 ===================================== Write number: 402 Temperature: 0.900000 Total energy: -2293.578736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2293.578736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2293.578736 (E_RNA) where: Base-Base interactions energy: -1561.585 where: short stacking energy: -621.792 Base-Backbone interact. energy: -1.760 local terms energy: -730.234298 where: bonds (distance) C4'-P energy: -136.975 bonds (distance) P-C4' energy: -138.565 flat angles C4'-P-C4' energy: -150.368 flat angles P-C4'-P energy: -110.516 tors. eta vs tors. theta energy: -193.810 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: 2, replica: 7 ===================================== Write number: 402 Temperature: 0.950000 Total energy: -2185.937771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2185.937771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2185.937771 (E_RNA) where: Base-Base interactions energy: -1478.846 where: short stacking energy: -641.797 Base-Backbone interact. energy: -0.988 local terms energy: -706.104529 where: bonds (distance) C4'-P energy: -132.990 bonds (distance) P-C4' energy: -124.440 flat angles C4'-P-C4' energy: -144.294 flat angles P-C4'-P energy: -89.332 tors. eta vs tors. theta energy: -215.048 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: 3, replica: 6 ===================================== Write number: 402 Temperature: 1.000000 Total energy: -2135.918980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2135.918980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2135.918980 (E_RNA) where: Base-Base interactions energy: -1447.729 where: short stacking energy: -604.399 Base-Backbone interact. energy: -2.865 local terms energy: -685.324399 where: bonds (distance) C4'-P energy: -124.597 bonds (distance) P-C4' energy: -129.526 flat angles C4'-P-C4' energy: -138.178 flat angles P-C4'-P energy: -103.064 tors. eta vs tors. theta energy: -189.959 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 402 Temperature: 1.050000 Total energy: -2061.376653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2061.376653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2061.376653 (E_RNA) where: Base-Base interactions energy: -1401.097 where: short stacking energy: -545.962 Base-Backbone interact. energy: -2.767 local terms energy: -657.513566 where: bonds (distance) C4'-P energy: -126.133 bonds (distance) P-C4' energy: -135.852 flat angles C4'-P-C4' energy: -125.270 flat angles P-C4'-P energy: -79.971 tors. eta vs tors. theta energy: -190.288 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 402 Temperature: 1.100000 Total energy: -1874.552897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1874.552897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1874.552897 (E_RNA) where: Base-Base interactions energy: -1245.870 where: short stacking energy: -528.813 Base-Backbone interact. energy: 7.613 local terms energy: -636.296213 where: bonds (distance) C4'-P energy: -115.711 bonds (distance) P-C4' energy: -107.737 flat angles C4'-P-C4' energy: -149.051 flat angles P-C4'-P energy: -96.921 tors. eta vs tors. theta energy: -166.875 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: 6, replica: 10 ===================================== Write number: 402 Temperature: 1.150000 Total energy: -1614.051019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1614.051019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1614.051019 (E_RNA) where: Base-Base interactions energy: -1027.703 where: short stacking energy: -464.225 Base-Backbone interact. energy: -1.662 local terms energy: -584.686533 where: bonds (distance) C4'-P energy: -115.260 bonds (distance) P-C4' energy: -121.689 flat angles C4'-P-C4' energy: -123.636 flat angles P-C4'-P energy: -84.791 tors. eta vs tors. theta energy: -139.311 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 402 Temperature: 1.200000 Total energy: -1216.568895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1216.568895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1216.568895 (E_RNA) where: Base-Base interactions energy: -722.858 where: short stacking energy: -346.353 Base-Backbone interact. energy: -3.739 local terms energy: -489.971503 where: bonds (distance) C4'-P energy: -106.781 bonds (distance) P-C4' energy: -120.273 flat angles C4'-P-C4' energy: -106.698 flat angles P-C4'-P energy: -79.797 tors. eta vs tors. theta energy: -76.422 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 402 Temperature: 1.250000 Total energy: -913.262358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -913.262358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -913.262358 (E_RNA) where: Base-Base interactions energy: -505.836 where: short stacking energy: -245.344 Base-Backbone interact. energy: -1.211 local terms energy: -406.215856 where: bonds (distance) C4'-P energy: -118.336 bonds (distance) P-C4' energy: -119.415 flat angles C4'-P-C4' energy: -90.330 flat angles P-C4'-P energy: -49.580 tors. eta vs tors. theta energy: -28.555 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 402 Temperature: 1.300000 Total energy: -708.756105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -708.756105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -708.756105 (E_RNA) where: Base-Base interactions energy: -315.147 where: short stacking energy: -184.167 Base-Backbone interact. energy: -2.067 local terms energy: -391.541258 where: bonds (distance) C4'-P energy: -115.182 bonds (distance) P-C4' energy: -112.656 flat angles C4'-P-C4' energy: -91.551 flat angles P-C4'-P energy: -58.786 tors. eta vs tors. theta energy: -13.367 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: 4 ===================================== Write number: 402 Temperature: 1.350000 Total energy: -521.861662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -521.861662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -521.861662 (E_RNA) where: Base-Base interactions energy: -161.477 where: short stacking energy: -117.152 Base-Backbone interact. energy: 0.003 local terms energy: -360.387694 where: bonds (distance) C4'-P energy: -122.461 bonds (distance) P-C4' energy: -118.048 flat angles C4'-P-C4' energy: -101.985 flat angles P-C4'-P energy: -54.414 tors. eta vs tors. theta energy: 36.520 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 403 Temperature: 0.900000 Total energy: -2310.818517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2310.818517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2310.818517 (E_RNA) where: Base-Base interactions energy: -1562.076 where: short stacking energy: -623.875 Base-Backbone interact. energy: -2.171 local terms energy: -746.571549 where: bonds (distance) C4'-P energy: -129.517 bonds (distance) P-C4' energy: -141.894 flat angles C4'-P-C4' energy: -159.170 flat angles P-C4'-P energy: -105.304 tors. eta vs tors. theta energy: -210.686 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 403 Temperature: 0.950000 Total energy: -2173.063953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2173.063953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2173.063953 (E_RNA) where: Base-Base interactions energy: -1463.060 where: short stacking energy: -581.567 Base-Backbone interact. energy: 1.080 local terms energy: -711.084567 where: bonds (distance) C4'-P energy: -122.775 bonds (distance) P-C4' energy: -130.440 flat angles C4'-P-C4' energy: -151.530 flat angles P-C4'-P energy: -101.559 tors. eta vs tors. theta energy: -204.781 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: 3, replica: 6 ===================================== Write number: 403 Temperature: 1.000000 Total energy: -2136.528193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2136.528193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2136.528193 (E_RNA) where: Base-Base interactions energy: -1428.266 where: short stacking energy: -608.992 Base-Backbone interact. energy: 0.963 local terms energy: -709.225529 where: bonds (distance) C4'-P energy: -129.924 bonds (distance) P-C4' energy: -129.667 flat angles C4'-P-C4' energy: -154.744 flat angles P-C4'-P energy: -103.263 tors. eta vs tors. theta energy: -191.627 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 403 Temperature: 1.050000 Total energy: -2080.435973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2080.435973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2080.435973 (E_RNA) where: Base-Base interactions energy: -1414.863 where: short stacking energy: -566.049 Base-Backbone interact. energy: -1.333 local terms energy: -664.239858 where: bonds (distance) C4'-P energy: -117.086 bonds (distance) P-C4' energy: -136.983 flat angles C4'-P-C4' energy: -142.145 flat angles P-C4'-P energy: -97.664 tors. eta vs tors. theta energy: -170.361 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 403 Temperature: 1.100000 Total energy: -1882.567477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1882.567477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1882.567477 (E_RNA) where: Base-Base interactions energy: -1238.349 where: short stacking energy: -509.195 Base-Backbone interact. energy: -3.578 local terms energy: -640.639903 where: bonds (distance) C4'-P energy: -121.074 bonds (distance) P-C4' energy: -133.222 flat angles C4'-P-C4' energy: -124.733 flat angles P-C4'-P energy: -93.565 tors. eta vs tors. theta energy: -168.047 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: 6, replica: 10 ===================================== Write number: 403 Temperature: 1.150000 Total energy: -1509.082589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1509.082589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1509.082589 (E_RNA) where: Base-Base interactions energy: -991.563 where: short stacking energy: -441.060 Base-Backbone interact. energy: 2.867 local terms energy: -520.887459 where: bonds (distance) C4'-P energy: -97.997 bonds (distance) P-C4' energy: -121.564 flat angles C4'-P-C4' energy: -113.452 flat angles P-C4'-P energy: -72.910 tors. eta vs tors. theta energy: -114.964 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.501 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 403 Temperature: 1.200000 Total energy: -1259.244642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1259.244642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1259.244642 (E_RNA) where: Base-Base interactions energy: -761.184 where: short stacking energy: -356.032 Base-Backbone interact. energy: -2.350 local terms energy: -495.710723 where: bonds (distance) C4'-P energy: -107.114 bonds (distance) P-C4' energy: -126.743 flat angles C4'-P-C4' energy: -112.740 flat angles P-C4'-P energy: -65.697 tors. eta vs tors. theta energy: -83.416 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 403 Temperature: 1.250000 Total energy: -791.440875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -791.440875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -791.440875 (E_RNA) where: Base-Base interactions energy: -396.874 where: short stacking energy: -216.205 Base-Backbone interact. energy: -3.489 local terms energy: -391.078717 where: bonds (distance) C4'-P energy: -111.185 bonds (distance) P-C4' energy: -106.802 flat angles C4'-P-C4' energy: -106.092 flat angles P-C4'-P energy: -51.623 tors. eta vs tors. theta energy: -15.376 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 403 Temperature: 1.300000 Total energy: -703.324583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -703.324583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -703.324583 (E_RNA) where: Base-Base interactions energy: -341.049 where: short stacking energy: -189.976 Base-Backbone interact. energy: -0.868 local terms energy: -361.407589 where: bonds (distance) C4'-P energy: -113.177 bonds (distance) P-C4' energy: -101.298 flat angles C4'-P-C4' energy: -109.187 flat angles P-C4'-P energy: -48.036 tors. eta vs tors. theta energy: 10.290 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: 4 ===================================== Write number: 403 Temperature: 1.350000 Total energy: -494.396155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -494.396155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -494.396155 (E_RNA) where: Base-Base interactions energy: -168.695 where: short stacking energy: -116.384 Base-Backbone interact. energy: -0.642 local terms energy: -325.059104 where: bonds (distance) C4'-P energy: -84.951 bonds (distance) P-C4' energy: -122.803 flat angles C4'-P-C4' energy: -89.690 flat angles P-C4'-P energy: -55.731 tors. eta vs tors. theta energy: 28.115 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 404 Temperature: 0.900000 Total energy: -2289.796689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2289.796689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2289.796689 (E_RNA) where: Base-Base interactions energy: -1550.571 where: short stacking energy: -638.973 Base-Backbone interact. energy: -1.217 local terms energy: -738.009332 where: bonds (distance) C4'-P energy: -135.060 bonds (distance) P-C4' energy: -139.320 flat angles C4'-P-C4' energy: -150.335 flat angles P-C4'-P energy: -103.463 tors. eta vs tors. theta energy: -209.832 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 404 Temperature: 0.950000 Total energy: -2235.190165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2235.190165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2235.190165 (E_RNA) where: Base-Base interactions energy: -1490.824 where: short stacking energy: -621.867 Base-Backbone interact. energy: 0.242 local terms energy: -744.608130 where: bonds (distance) C4'-P energy: -125.006 bonds (distance) P-C4' energy: -144.576 flat angles C4'-P-C4' energy: -153.684 flat angles P-C4'-P energy: -106.511 tors. eta vs tors. theta energy: -214.830 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: 404 Temperature: 1.000000 Total energy: -2126.020665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2126.020665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2126.020665 (E_RNA) where: Base-Base interactions energy: -1454.415 where: short stacking energy: -626.346 Base-Backbone interact. energy: -0.256 local terms energy: -671.348980 where: bonds (distance) C4'-P energy: -131.020 bonds (distance) P-C4' energy: -112.234 flat angles C4'-P-C4' energy: -144.580 flat angles P-C4'-P energy: -87.431 tors. eta vs tors. theta energy: -196.083 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: 4, replica: 2 ===================================== Write number: 404 Temperature: 1.050000 Total energy: -2056.324419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2056.324419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2056.324419 (E_RNA) where: Base-Base interactions energy: -1406.172 where: short stacking energy: -579.429 Base-Backbone interact. energy: 4.023 local terms energy: -654.175026 where: bonds (distance) C4'-P energy: -126.949 bonds (distance) P-C4' energy: -132.036 flat angles C4'-P-C4' energy: -137.031 flat angles P-C4'-P energy: -74.827 tors. eta vs tors. theta energy: -183.331 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: 5 ===================================== Write number: 404 Temperature: 1.100000 Total energy: -1886.068711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1886.068711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1886.068711 (E_RNA) where: Base-Base interactions energy: -1264.380 where: short stacking energy: -522.220 Base-Backbone interact. energy: -3.794 local terms energy: -617.894587 where: bonds (distance) C4'-P energy: -115.787 bonds (distance) P-C4' energy: -120.258 flat angles C4'-P-C4' energy: -144.537 flat angles P-C4'-P energy: -85.594 tors. eta vs tors. theta energy: -151.719 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 404 Temperature: 1.150000 Total energy: -1506.733188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1506.733188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1506.733188 (E_RNA) where: Base-Base interactions energy: -989.625 where: short stacking energy: -444.710 Base-Backbone interact. energy: -2.364 local terms energy: -514.743710 where: bonds (distance) C4'-P energy: -96.912 bonds (distance) P-C4' energy: -108.789 flat angles C4'-P-C4' energy: -124.076 flat angles P-C4'-P energy: -71.554 tors. eta vs tors. theta energy: -113.412 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 404 Temperature: 1.200000 Total energy: -1220.226666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1220.226666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1220.226666 (E_RNA) where: Base-Base interactions energy: -761.690 where: short stacking energy: -350.543 Base-Backbone interact. energy: 5.483 local terms energy: -464.018840 where: bonds (distance) C4'-P energy: -103.332 bonds (distance) P-C4' energy: -90.202 flat angles C4'-P-C4' energy: -125.447 flat angles P-C4'-P energy: -76.900 tors. eta vs tors. theta energy: -68.138 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 404 Temperature: 1.250000 Total energy: -809.977108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -809.977108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -809.977108 (E_RNA) where: Base-Base interactions energy: -386.792 where: short stacking energy: -235.633 Base-Backbone interact. energy: -3.113 local terms energy: -420.071571 where: bonds (distance) C4'-P energy: -122.852 bonds (distance) P-C4' energy: -107.234 flat angles C4'-P-C4' energy: -95.096 flat angles P-C4'-P energy: -79.448 tors. eta vs tors. theta energy: -15.442 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 404 Temperature: 1.300000 Total energy: -756.189749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -756.189749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -756.189749 (E_RNA) where: Base-Base interactions energy: -351.101 where: short stacking energy: -203.890 Base-Backbone interact. energy: 5.115 local terms energy: -410.203927 where: bonds (distance) C4'-P energy: -100.469 bonds (distance) P-C4' energy: -126.003 flat angles C4'-P-C4' energy: -110.715 flat angles P-C4'-P energy: -63.688 tors. eta vs tors. theta energy: -9.328 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: 10, replica: 4 ===================================== Write number: 404 Temperature: 1.350000 Total energy: -478.159063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -478.159063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -478.159063 (E_RNA) where: Base-Base interactions energy: -158.427 where: short stacking energy: -123.352 Base-Backbone interact. energy: -0.522 local terms energy: -319.209891 where: bonds (distance) C4'-P energy: -91.869 bonds (distance) P-C4' energy: -116.031 flat angles C4'-P-C4' energy: -74.953 flat angles P-C4'-P energy: -66.664 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: 1, replica: 8 ===================================== Write number: 405 Temperature: 0.900000 Total energy: -2294.892726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2294.892726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2294.892726 (E_RNA) where: Base-Base interactions energy: -1589.631 where: short stacking energy: -652.206 Base-Backbone interact. energy: -2.008 local terms energy: -703.253702 where: bonds (distance) C4'-P energy: -129.642 bonds (distance) P-C4' energy: -132.477 flat angles C4'-P-C4' energy: -145.505 flat angles P-C4'-P energy: -89.754 tors. eta vs tors. theta energy: -205.875 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 405 Temperature: 0.950000 Total energy: -2239.728544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2239.728544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2239.728544 (E_RNA) where: Base-Base interactions energy: -1521.102 where: short stacking energy: -661.685 Base-Backbone interact. energy: -0.780 local terms energy: -717.846264 where: bonds (distance) C4'-P energy: -116.173 bonds (distance) P-C4' energy: -126.913 flat angles C4'-P-C4' energy: -151.813 flat angles P-C4'-P energy: -104.212 tors. eta vs tors. theta energy: -218.735 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 405 Temperature: 1.000000 Total energy: -2107.302752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2107.302752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2107.302752 (E_RNA) where: Base-Base interactions energy: -1414.326 where: short stacking energy: -613.320 Base-Backbone interact. energy: -1.426 local terms energy: -691.550358 where: bonds (distance) C4'-P energy: -139.034 bonds (distance) P-C4' energy: -114.757 flat angles C4'-P-C4' energy: -155.532 flat angles P-C4'-P energy: -87.550 tors. eta vs tors. theta energy: -194.677 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: 2 ===================================== Write number: 405 Temperature: 1.050000 Total energy: -2054.829283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2054.829283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2054.829283 (E_RNA) where: Base-Base interactions energy: -1404.930 where: short stacking energy: -601.107 Base-Backbone interact. energy: -2.110 local terms energy: -647.789547 where: bonds (distance) C4'-P energy: -125.744 bonds (distance) P-C4' energy: -119.584 flat angles C4'-P-C4' energy: -137.847 flat angles P-C4'-P energy: -79.993 tors. eta vs tors. theta energy: -184.621 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 405 Temperature: 1.100000 Total energy: -1881.176851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1881.176851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1881.176851 (E_RNA) where: Base-Base interactions energy: -1263.153 where: short stacking energy: -494.948 Base-Backbone interact. energy: -1.579 local terms energy: -616.444814 where: bonds (distance) C4'-P energy: -111.618 bonds (distance) P-C4' energy: -125.180 flat angles C4'-P-C4' energy: -146.423 flat angles P-C4'-P energy: -79.309 tors. eta vs tors. theta energy: -153.916 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: 10 ===================================== Write number: 405 Temperature: 1.150000 Total energy: -1513.772520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1513.772520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1513.772520 (E_RNA) where: Base-Base interactions energy: -963.071 where: short stacking energy: -429.839 Base-Backbone interact. energy: 0.129 local terms energy: -550.831229 where: bonds (distance) C4'-P energy: -111.890 bonds (distance) P-C4' energy: -121.864 flat angles C4'-P-C4' energy: -124.902 flat angles P-C4'-P energy: -70.050 tors. eta vs tors. theta energy: -122.125 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 405 Temperature: 1.200000 Total energy: -1194.919686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1194.919686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1194.919686 (E_RNA) where: Base-Base interactions energy: -723.449 where: short stacking energy: -342.328 Base-Backbone interact. energy: 0.025 local terms energy: -471.495776 where: bonds (distance) C4'-P energy: -114.779 bonds (distance) P-C4' energy: -104.171 flat angles C4'-P-C4' energy: -105.460 flat angles P-C4'-P energy: -81.469 tors. eta vs tors. theta energy: -65.617 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 405 Temperature: 1.250000 Total energy: -745.406978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -745.406978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -745.406978 (E_RNA) where: Base-Base interactions energy: -362.162 where: short stacking energy: -207.446 Base-Backbone interact. energy: -3.306 local terms energy: -379.939899 where: bonds (distance) C4'-P energy: -111.541 bonds (distance) P-C4' energy: -117.545 flat angles C4'-P-C4' energy: -105.330 flat angles P-C4'-P energy: -44.858 tors. eta vs tors. theta energy: -0.666 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: 3 ===================================== Write number: 405 Temperature: 1.300000 Total energy: -692.246620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -692.246620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -692.246620 (E_RNA) where: Base-Base interactions energy: -342.935 where: short stacking energy: -173.625 Base-Backbone interact. energy: -0.785 local terms energy: -348.526540 where: bonds (distance) C4'-P energy: -98.151 bonds (distance) P-C4' energy: -118.182 flat angles C4'-P-C4' energy: -105.157 flat angles P-C4'-P energy: -48.410 tors. eta vs tors. theta energy: 21.374 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: 4 ===================================== Write number: 405 Temperature: 1.350000 Total energy: -530.969069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -530.969069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -530.969069 (E_RNA) where: Base-Base interactions energy: -200.589 where: short stacking energy: -139.905 Base-Backbone interact. energy: -1.184 local terms energy: -329.195877 where: bonds (distance) C4'-P energy: -95.954 bonds (distance) P-C4' energy: -100.420 flat angles C4'-P-C4' energy: -102.310 flat angles P-C4'-P energy: -52.969 tors. eta vs tors. theta energy: 22.457 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 406 Temperature: 0.900000 Total energy: -2274.016956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2274.016956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2274.016956 (E_RNA) where: Base-Base interactions energy: -1534.744 where: short stacking energy: -658.615 Base-Backbone interact. energy: -2.744 local terms energy: -736.528286 where: bonds (distance) C4'-P energy: -122.162 bonds (distance) P-C4' energy: -137.399 flat angles C4'-P-C4' energy: -150.014 flat angles P-C4'-P energy: -107.952 tors. eta vs tors. theta energy: -219.001 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: 2, replica: 8 ===================================== Write number: 406 Temperature: 0.950000 Total energy: -2225.368605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2225.368605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2225.368605 (E_RNA) where: Base-Base interactions energy: -1530.047 where: short stacking energy: -633.848 Base-Backbone interact. energy: -0.918 local terms energy: -694.403866 where: bonds (distance) C4'-P energy: -132.718 bonds (distance) P-C4' energy: -120.008 flat angles C4'-P-C4' energy: -150.708 flat angles P-C4'-P energy: -94.025 tors. eta vs tors. theta energy: -196.945 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 406 Temperature: 1.000000 Total energy: -2136.520960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2136.520960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2136.520960 (E_RNA) where: Base-Base interactions energy: -1425.958 where: short stacking energy: -633.169 Base-Backbone interact. energy: 1.065 local terms energy: -711.627150 where: bonds (distance) C4'-P energy: -124.666 bonds (distance) P-C4' energy: -133.113 flat angles C4'-P-C4' energy: -149.188 flat angles P-C4'-P energy: -99.677 tors. eta vs tors. theta energy: -204.984 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 406 Temperature: 1.050000 Total energy: -2065.101278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2065.101278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2065.101278 (E_RNA) where: Base-Base interactions energy: -1391.953 where: short stacking energy: -584.964 Base-Backbone interact. energy: -2.850 local terms energy: -670.298759 where: bonds (distance) C4'-P energy: -122.750 bonds (distance) P-C4' energy: -134.051 flat angles C4'-P-C4' energy: -138.220 flat angles P-C4'-P energy: -94.994 tors. eta vs tors. theta energy: -180.284 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 406 Temperature: 1.100000 Total energy: -1876.251333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1876.251333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1876.251333 (E_RNA) where: Base-Base interactions energy: -1269.303 where: short stacking energy: -544.629 Base-Backbone interact. energy: -6.144 local terms energy: -600.804275 where: bonds (distance) C4'-P energy: -96.947 bonds (distance) P-C4' energy: -114.499 flat angles C4'-P-C4' energy: -141.751 flat angles P-C4'-P energy: -89.925 tors. eta vs tors. theta energy: -157.683 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 406 Temperature: 1.150000 Total energy: -1545.947521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1545.947521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1545.947521 (E_RNA) where: Base-Base interactions energy: -974.789 where: short stacking energy: -432.728 Base-Backbone interact. energy: 2.215 local terms energy: -573.373317 where: bonds (distance) C4'-P energy: -120.582 bonds (distance) P-C4' energy: -130.752 flat angles C4'-P-C4' energy: -126.427 flat angles P-C4'-P energy: -83.638 tors. eta vs tors. theta energy: -111.974 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 406 Temperature: 1.200000 Total energy: -1147.312102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1147.312102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1147.312102 (E_RNA) where: Base-Base interactions energy: -681.508 where: short stacking energy: -305.722 Base-Backbone interact. energy: -3.845 local terms energy: -461.959570 where: bonds (distance) C4'-P energy: -104.834 bonds (distance) P-C4' energy: -107.824 flat angles C4'-P-C4' energy: -115.344 flat angles P-C4'-P energy: -95.727 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: 8, replica: 9 ===================================== Write number: 406 Temperature: 1.250000 Total energy: -717.954306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -717.954306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -717.954306 (E_RNA) where: Base-Base interactions energy: -343.871 where: short stacking energy: -186.434 Base-Backbone interact. energy: -0.984 local terms energy: -373.099408 where: bonds (distance) C4'-P energy: -105.772 bonds (distance) P-C4' energy: -118.300 flat angles C4'-P-C4' energy: -88.692 flat angles P-C4'-P energy: -52.176 tors. eta vs tors. theta energy: -8.160 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: 3 ===================================== Write number: 406 Temperature: 1.300000 Total energy: -768.101869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -768.101869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -768.101869 (E_RNA) where: Base-Base interactions energy: -366.468 where: short stacking energy: -187.561 Base-Backbone interact. energy: 6.164 local terms energy: -407.797988 where: bonds (distance) C4'-P energy: -114.396 bonds (distance) P-C4' energy: -124.628 flat angles C4'-P-C4' energy: -89.524 flat angles P-C4'-P energy: -62.092 tors. eta vs tors. theta energy: -17.158 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 406 Temperature: 1.350000 Total energy: -504.760990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -504.760990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -504.760990 (E_RNA) where: Base-Base interactions energy: -169.989 where: short stacking energy: -140.211 Base-Backbone interact. energy: 1.713 local terms energy: -336.485260 where: bonds (distance) C4'-P energy: -90.044 bonds (distance) P-C4' energy: -114.447 flat angles C4'-P-C4' energy: -101.974 flat angles P-C4'-P energy: -55.285 tors. eta vs tors. theta energy: 25.265 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: 7 ===================================== Write number: 407 Temperature: 0.900000 Total energy: -2298.896904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2298.896904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2298.896904 (E_RNA) where: Base-Base interactions energy: -1526.731 where: short stacking energy: -675.034 Base-Backbone interact. energy: -4.081 local terms energy: -768.085174 where: bonds (distance) C4'-P energy: -143.036 bonds (distance) P-C4' energy: -143.058 flat angles C4'-P-C4' energy: -153.845 flat angles P-C4'-P energy: -110.828 tors. eta vs tors. theta energy: -217.319 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: 2, replica: 6 ===================================== Write number: 407 Temperature: 0.950000 Total energy: -2173.411357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2173.411357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2173.411357 (E_RNA) where: Base-Base interactions energy: -1457.458 where: short stacking energy: -640.972 Base-Backbone interact. energy: -3.460 local terms energy: -712.493338 where: bonds (distance) C4'-P energy: -137.481 bonds (distance) P-C4' energy: -123.876 flat angles C4'-P-C4' energy: -150.599 flat angles P-C4'-P energy: -99.334 tors. eta vs tors. theta energy: -201.204 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 407 Temperature: 1.000000 Total energy: -2164.808367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2164.808367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2164.808367 (E_RNA) where: Base-Base interactions energy: -1474.208 where: short stacking energy: -599.409 Base-Backbone interact. energy: 1.357 local terms energy: -691.957130 where: bonds (distance) C4'-P energy: -135.580 bonds (distance) P-C4' energy: -126.956 flat angles C4'-P-C4' energy: -144.022 flat angles P-C4'-P energy: -84.310 tors. eta vs tors. theta energy: -201.089 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: 2 ===================================== Write number: 407 Temperature: 1.050000 Total energy: -2064.572838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2064.572838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2064.572838 (E_RNA) where: Base-Base interactions energy: -1404.223 where: short stacking energy: -597.229 Base-Backbone interact. energy: -1.252 local terms energy: -659.097674 where: bonds (distance) C4'-P energy: -123.706 bonds (distance) P-C4' energy: -124.332 flat angles C4'-P-C4' energy: -143.122 flat angles P-C4'-P energy: -97.445 tors. eta vs tors. theta energy: -170.493 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: 5, replica: 5 ===================================== Write number: 407 Temperature: 1.100000 Total energy: -1905.302980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1905.302980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1905.302980 (E_RNA) where: Base-Base interactions energy: -1289.280 where: short stacking energy: -551.783 Base-Backbone interact. energy: -4.550 local terms energy: -611.472812 where: bonds (distance) C4'-P energy: -81.562 bonds (distance) P-C4' energy: -125.308 flat angles C4'-P-C4' energy: -146.285 flat angles P-C4'-P energy: -88.612 tors. eta vs tors. theta energy: -169.707 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: 10 ===================================== Write number: 407 Temperature: 1.150000 Total energy: -1569.775226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1569.775226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1569.775226 (E_RNA) where: Base-Base interactions energy: -1005.100 where: short stacking energy: -445.913 Base-Backbone interact. energy: -1.341 local terms energy: -563.334159 where: bonds (distance) C4'-P energy: -103.270 bonds (distance) P-C4' energy: -125.138 flat angles C4'-P-C4' energy: -134.424 flat angles P-C4'-P energy: -73.994 tors. eta vs tors. theta energy: -126.508 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 407 Temperature: 1.200000 Total energy: -1096.841737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1096.841737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1096.841737 (E_RNA) where: Base-Base interactions energy: -631.933 where: short stacking energy: -295.807 Base-Backbone interact. energy: -1.888 local terms energy: -463.021161 where: bonds (distance) C4'-P energy: -118.998 bonds (distance) P-C4' energy: -122.759 flat angles C4'-P-C4' energy: -102.079 flat angles P-C4'-P energy: -72.957 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: 8, replica: 9 ===================================== Write number: 407 Temperature: 1.250000 Total energy: -736.830693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -736.830693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -736.830693 (E_RNA) where: Base-Base interactions energy: -354.641 where: short stacking energy: -213.920 Base-Backbone interact. energy: -2.780 local terms energy: -379.410056 where: bonds (distance) C4'-P energy: -95.193 bonds (distance) P-C4' energy: -127.307 flat angles C4'-P-C4' energy: -100.142 flat angles P-C4'-P energy: -48.737 tors. eta vs tors. theta energy: -8.032 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 407 Temperature: 1.300000 Total energy: -697.756601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -697.756601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -697.756601 (E_RNA) where: Base-Base interactions energy: -306.778 where: short stacking energy: -174.409 Base-Backbone interact. energy: -0.268 local terms energy: -391.192289 where: bonds (distance) C4'-P energy: -115.957 bonds (distance) P-C4' energy: -126.028 flat angles C4'-P-C4' energy: -88.117 flat angles P-C4'-P energy: -59.027 tors. eta vs tors. theta energy: -2.063 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.482 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 407 Temperature: 1.350000 Total energy: -513.228748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -513.228748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -513.228748 (E_RNA) where: Base-Base interactions energy: -213.573 where: short stacking energy: -158.406 Base-Backbone interact. energy: 0.988 local terms energy: -300.643993 where: bonds (distance) C4'-P energy: -96.124 bonds (distance) P-C4' energy: -98.497 flat angles C4'-P-C4' energy: -80.866 flat angles P-C4'-P energy: -49.579 tors. eta vs tors. theta energy: 24.423 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 408 Temperature: 0.900000 Total energy: -2307.493672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2307.493672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2307.493672 (E_RNA) where: Base-Base interactions energy: -1561.553 where: short stacking energy: -671.777 Base-Backbone interact. energy: 0.580 local terms energy: -746.521188 where: bonds (distance) C4'-P energy: -140.508 bonds (distance) P-C4' energy: -123.603 flat angles C4'-P-C4' energy: -154.493 flat angles P-C4'-P energy: -102.884 tors. eta vs tors. theta energy: -225.034 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: 6 ===================================== Write number: 408 Temperature: 0.950000 Total energy: -2165.481364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2165.481364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2165.481364 (E_RNA) where: Base-Base interactions energy: -1477.226 where: short stacking energy: -624.254 Base-Backbone interact. energy: -0.415 local terms energy: -687.840682 where: bonds (distance) C4'-P energy: -120.059 bonds (distance) P-C4' energy: -132.855 flat angles C4'-P-C4' energy: -147.789 flat angles P-C4'-P energy: -91.557 tors. eta vs tors. theta energy: -195.581 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 408 Temperature: 1.000000 Total energy: -2170.457255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2170.457255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2170.457255 (E_RNA) where: Base-Base interactions energy: -1497.077 where: short stacking energy: -593.865 Base-Backbone interact. energy: -1.804 local terms energy: -671.575635 where: bonds (distance) C4'-P energy: -107.141 bonds (distance) P-C4' energy: -114.509 flat angles C4'-P-C4' energy: -153.396 flat angles P-C4'-P energy: -97.613 tors. eta vs tors. theta energy: -198.917 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: 2 ===================================== Write number: 408 Temperature: 1.050000 Total energy: -2014.722702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2014.722702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2014.722702 (E_RNA) where: Base-Base interactions energy: -1385.112 where: short stacking energy: -566.578 Base-Backbone interact. energy: -0.766 local terms energy: -628.845346 where: bonds (distance) C4'-P energy: -98.772 bonds (distance) P-C4' energy: -125.870 flat angles C4'-P-C4' energy: -132.568 flat angles P-C4'-P energy: -91.621 tors. eta vs tors. theta energy: -180.013 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: 5 ===================================== Write number: 408 Temperature: 1.100000 Total energy: -1865.200939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1865.200939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1865.200939 (E_RNA) where: Base-Base interactions energy: -1261.620 where: short stacking energy: -546.953 Base-Backbone interact. energy: -3.063 local terms energy: -600.518066 where: bonds (distance) C4'-P energy: -100.478 bonds (distance) P-C4' energy: -111.680 flat angles C4'-P-C4' energy: -141.016 flat angles P-C4'-P energy: -79.495 tors. eta vs tors. theta energy: -167.849 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: 10 ===================================== Write number: 408 Temperature: 1.150000 Total energy: -1530.544522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1530.544522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1530.544522 (E_RNA) where: Base-Base interactions energy: -983.905 where: short stacking energy: -431.100 Base-Backbone interact. energy: 5.568 local terms energy: -552.206932 where: bonds (distance) C4'-P energy: -118.319 bonds (distance) P-C4' energy: -125.163 flat angles C4'-P-C4' energy: -117.418 flat angles P-C4'-P energy: -77.609 tors. eta vs tors. theta energy: -113.698 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 408 Temperature: 1.200000 Total energy: -1077.965516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1077.965516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1077.965516 (E_RNA) where: Base-Base interactions energy: -636.833 where: short stacking energy: -305.354 Base-Backbone interact. energy: -1.430 local terms energy: -439.701931 where: bonds (distance) C4'-P energy: -88.681 bonds (distance) P-C4' energy: -116.446 flat angles C4'-P-C4' energy: -99.958 flat angles P-C4'-P energy: -78.128 tors. eta vs tors. theta energy: -56.489 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: 9 ===================================== Write number: 408 Temperature: 1.250000 Total energy: -711.540851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -711.540851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -711.540851 (E_RNA) where: Base-Base interactions energy: -317.363 where: short stacking energy: -207.411 Base-Backbone interact. energy: 6.921 local terms energy: -401.099267 where: bonds (distance) C4'-P energy: -110.500 bonds (distance) P-C4' energy: -129.280 flat angles C4'-P-C4' energy: -94.424 flat angles P-C4'-P energy: -59.914 tors. eta vs tors. theta energy: -6.980 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 408 Temperature: 1.300000 Total energy: -752.081561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -752.081561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -752.081561 (E_RNA) where: Base-Base interactions energy: -367.353 where: short stacking energy: -205.283 Base-Backbone interact. energy: -0.005 local terms energy: -384.723250 where: bonds (distance) C4'-P energy: -111.642 bonds (distance) P-C4' energy: -126.935 flat angles C4'-P-C4' energy: -92.084 flat angles P-C4'-P energy: -59.028 tors. eta vs tors. theta energy: 4.965 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 408 Temperature: 1.350000 Total energy: -495.431815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -495.431815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -495.431815 (E_RNA) where: Base-Base interactions energy: -171.048 where: short stacking energy: -113.185 Base-Backbone interact. energy: 3.046 local terms energy: -327.430004 where: bonds (distance) C4'-P energy: -118.848 bonds (distance) P-C4' energy: -105.325 flat angles C4'-P-C4' energy: -86.109 flat angles P-C4'-P energy: -50.516 tors. eta vs tors. theta energy: 33.368 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 409 Temperature: 0.900000 Total energy: -2289.329064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2289.329064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2289.329064 (E_RNA) where: Base-Base interactions energy: -1530.688 where: short stacking energy: -658.384 Base-Backbone interact. energy: -2.267 local terms energy: -756.373797 where: bonds (distance) C4'-P energy: -121.476 bonds (distance) P-C4' energy: -144.105 flat angles C4'-P-C4' energy: -159.204 flat angles P-C4'-P energy: -108.972 tors. eta vs tors. theta energy: -222.616 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: 8 ===================================== Write number: 409 Temperature: 0.950000 Total energy: -2227.107745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2227.107745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2227.107745 (E_RNA) where: Base-Base interactions energy: -1524.991 where: short stacking energy: -628.371 Base-Backbone interact. energy: -1.374 local terms energy: -700.743039 where: bonds (distance) C4'-P energy: -131.887 bonds (distance) P-C4' energy: -128.596 flat angles C4'-P-C4' energy: -144.426 flat angles P-C4'-P energy: -95.219 tors. eta vs tors. theta energy: -200.614 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: 409 Temperature: 1.000000 Total energy: -2105.042196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2105.042196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2105.042196 (E_RNA) where: Base-Base interactions energy: -1430.093 where: short stacking energy: -610.945 Base-Backbone interact. energy: -1.301 local terms energy: -673.648108 where: bonds (distance) C4'-P energy: -112.173 bonds (distance) P-C4' energy: -118.046 flat angles C4'-P-C4' energy: -149.487 flat angles P-C4'-P energy: -92.811 tors. eta vs tors. theta energy: -201.131 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: 2 ===================================== Write number: 409 Temperature: 1.050000 Total energy: -2088.784406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2088.784406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2088.784406 (E_RNA) where: Base-Base interactions energy: -1420.385 where: short stacking energy: -604.307 Base-Backbone interact. energy: -0.797 local terms energy: -667.602677 where: bonds (distance) C4'-P energy: -128.890 bonds (distance) P-C4' energy: -121.961 flat angles C4'-P-C4' energy: -140.991 flat angles P-C4'-P energy: -84.957 tors. eta vs tors. theta energy: -190.804 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 409 Temperature: 1.100000 Total energy: -1841.297069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1841.297069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1841.297069 (E_RNA) where: Base-Base interactions energy: -1202.626 where: short stacking energy: -511.482 Base-Backbone interact. energy: -0.388 local terms energy: -638.283880 where: bonds (distance) C4'-P energy: -135.020 bonds (distance) P-C4' energy: -123.518 flat angles C4'-P-C4' energy: -139.746 flat angles P-C4'-P energy: -84.983 tors. eta vs tors. theta energy: -155.017 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 409 Temperature: 1.150000 Total energy: -1561.776797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1561.776797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1561.776797 (E_RNA) where: Base-Base interactions energy: -1021.813 where: short stacking energy: -451.753 Base-Backbone interact. energy: 1.694 local terms energy: -541.658382 where: bonds (distance) C4'-P energy: -108.510 bonds (distance) P-C4' energy: -114.009 flat angles C4'-P-C4' energy: -120.398 flat angles P-C4'-P energy: -82.583 tors. eta vs tors. theta energy: -116.158 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 409 Temperature: 1.200000 Total energy: -1052.028258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1052.028258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1052.028258 (E_RNA) where: Base-Base interactions energy: -611.546 where: short stacking energy: -299.576 Base-Backbone interact. energy: -2.699 local terms energy: -437.782818 where: bonds (distance) C4'-P energy: -108.195 bonds (distance) P-C4' energy: -112.647 flat angles C4'-P-C4' energy: -100.172 flat angles P-C4'-P energy: -71.541 tors. eta vs tors. theta energy: -45.227 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: 8, replica: 9 ===================================== Write number: 409 Temperature: 1.250000 Total energy: -721.935677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -721.935677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -721.935677 (E_RNA) where: Base-Base interactions energy: -307.995 where: short stacking energy: -200.407 Base-Backbone interact. energy: 1.316 local terms energy: -415.257118 where: bonds (distance) C4'-P energy: -110.130 bonds (distance) P-C4' energy: -130.511 flat angles C4'-P-C4' energy: -101.535 flat angles P-C4'-P energy: -59.066 tors. eta vs tors. theta energy: -14.014 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 409 Temperature: 1.300000 Total energy: -687.988351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -687.988351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -687.988351 (E_RNA) where: Base-Base interactions energy: -314.785 where: short stacking energy: -183.484 Base-Backbone interact. energy: -0.126 local terms energy: -373.076999 where: bonds (distance) C4'-P energy: -107.862 bonds (distance) P-C4' energy: -124.882 flat angles C4'-P-C4' energy: -93.981 flat angles P-C4'-P energy: -58.675 tors. eta vs tors. theta energy: 12.322 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 409 Temperature: 1.350000 Total energy: -508.816137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -508.816137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -508.816137 (E_RNA) where: Base-Base interactions energy: -162.440 where: short stacking energy: -128.386 Base-Backbone interact. energy: 2.778 local terms energy: -349.153504 where: bonds (distance) C4'-P energy: -93.400 bonds (distance) P-C4' energy: -128.865 flat angles C4'-P-C4' energy: -92.414 flat angles P-C4'-P energy: -56.062 tors. eta vs tors. theta energy: 21.589 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: 1, replica: 7 ===================================== Write number: 410 Temperature: 0.900000 Total energy: -2279.039634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2279.039634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2279.039634 (E_RNA) where: Base-Base interactions energy: -1521.215 where: short stacking energy: -643.160 Base-Backbone interact. energy: -3.349 local terms energy: -754.474967 where: bonds (distance) C4'-P energy: -141.030 bonds (distance) P-C4' energy: -131.115 flat angles C4'-P-C4' energy: -155.104 flat angles P-C4'-P energy: -115.772 tors. eta vs tors. theta energy: -211.453 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 410 Temperature: 0.950000 Total energy: -2211.557250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2211.557250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2211.557250 (E_RNA) where: Base-Base interactions energy: -1522.510 where: short stacking energy: -615.772 Base-Backbone interact. energy: -1.577 local terms energy: -687.469854 where: bonds (distance) C4'-P energy: -123.498 bonds (distance) P-C4' energy: -132.302 flat angles C4'-P-C4' energy: -133.201 flat angles P-C4'-P energy: -95.348 tors. eta vs tors. theta energy: -203.121 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: 3, replica: 6 ===================================== Write number: 410 Temperature: 1.000000 Total energy: -2102.378374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2102.378374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2102.378374 (E_RNA) where: Base-Base interactions energy: -1412.895 where: short stacking energy: -627.078 Base-Backbone interact. energy: 0.041 local terms energy: -689.524353 where: bonds (distance) C4'-P energy: -127.419 bonds (distance) P-C4' energy: -133.019 flat angles C4'-P-C4' energy: -142.102 flat angles P-C4'-P energy: -88.599 tors. eta vs tors. theta energy: -198.385 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 410 Temperature: 1.050000 Total energy: -2041.588662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2041.588662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2041.588662 (E_RNA) where: Base-Base interactions energy: -1395.384 where: short stacking energy: -541.448 Base-Backbone interact. energy: 4.066 local terms energy: -650.270160 where: bonds (distance) C4'-P energy: -125.608 bonds (distance) P-C4' energy: -119.807 flat angles C4'-P-C4' energy: -140.712 flat angles P-C4'-P energy: -85.360 tors. eta vs tors. theta energy: -178.783 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 410 Temperature: 1.100000 Total energy: -1864.260083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1864.260083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1864.260083 (E_RNA) where: Base-Base interactions energy: -1277.051 where: short stacking energy: -554.657 Base-Backbone interact. energy: -3.747 local terms energy: -583.461987 where: bonds (distance) C4'-P energy: -112.126 bonds (distance) P-C4' energy: -105.769 flat angles C4'-P-C4' energy: -129.668 flat angles P-C4'-P energy: -75.715 tors. eta vs tors. theta energy: -160.185 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: 10 ===================================== Write number: 410 Temperature: 1.150000 Total energy: -1505.838735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1505.838735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1505.838735 (E_RNA) where: Base-Base interactions energy: -968.459 where: short stacking energy: -397.842 Base-Backbone interact. energy: 2.664 local terms energy: -540.044448 where: bonds (distance) C4'-P energy: -100.463 bonds (distance) P-C4' energy: -127.110 flat angles C4'-P-C4' energy: -131.810 flat angles P-C4'-P energy: -71.047 tors. eta vs tors. theta energy: -109.614 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 410 Temperature: 1.200000 Total energy: -1013.549750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1013.549750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1013.549750 (E_RNA) where: Base-Base interactions energy: -564.024 where: short stacking energy: -266.745 Base-Backbone interact. energy: -2.658 local terms energy: -446.867314 where: bonds (distance) C4'-P energy: -109.434 bonds (distance) P-C4' energy: -109.979 flat angles C4'-P-C4' energy: -114.676 flat angles P-C4'-P energy: -78.243 tors. eta vs tors. theta energy: -34.535 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 410 Temperature: 1.250000 Total energy: -722.709215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -722.709215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -722.709215 (E_RNA) where: Base-Base interactions energy: -320.820 where: short stacking energy: -192.400 Base-Backbone interact. energy: -3.464 local terms energy: -398.426009 where: bonds (distance) C4'-P energy: -104.212 bonds (distance) P-C4' energy: -118.033 flat angles C4'-P-C4' energy: -110.144 flat angles P-C4'-P energy: -63.403 tors. eta vs tors. theta energy: -2.634 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: 9, replica: 3 ===================================== Write number: 410 Temperature: 1.300000 Total energy: -769.000985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -769.000985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -769.000985 (E_RNA) where: Base-Base interactions energy: -405.106 where: short stacking energy: -192.763 Base-Backbone interact. energy: -3.898 local terms energy: -359.996479 where: bonds (distance) C4'-P energy: -101.380 bonds (distance) P-C4' energy: -91.960 flat angles C4'-P-C4' energy: -93.004 flat angles P-C4'-P energy: -56.809 tors. eta vs tors. theta energy: -16.844 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 410 Temperature: 1.350000 Total energy: -481.604111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -481.604111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -481.604111 (E_RNA) where: Base-Base interactions energy: -159.482 where: short stacking energy: -111.586 Base-Backbone interact. energy: 1.291 local terms energy: -323.412623 where: bonds (distance) C4'-P energy: -93.392 bonds (distance) P-C4' energy: -130.046 flat angles C4'-P-C4' energy: -91.669 flat angles P-C4'-P energy: -49.613 tors. eta vs tors. theta energy: 41.307 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 411 Temperature: 0.900000 Total energy: -2299.960121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2299.960121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2299.960121 (E_RNA) where: Base-Base interactions energy: -1563.393 where: short stacking energy: -674.306 Base-Backbone interact. energy: -3.482 local terms energy: -733.084926 where: bonds (distance) C4'-P energy: -139.573 bonds (distance) P-C4' energy: -130.999 flat angles C4'-P-C4' energy: -148.386 flat angles P-C4'-P energy: -99.425 tors. eta vs tors. theta energy: -214.702 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: 8 ===================================== Write number: 411 Temperature: 0.950000 Total energy: -2230.888058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2230.888058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2230.888058 (E_RNA) where: Base-Base interactions energy: -1527.338 where: short stacking energy: -627.595 Base-Backbone interact. energy: -2.483 local terms energy: -701.066924 where: bonds (distance) C4'-P energy: -119.727 bonds (distance) P-C4' energy: -127.305 flat angles C4'-P-C4' energy: -158.631 flat angles P-C4'-P energy: -93.166 tors. eta vs tors. theta energy: -202.238 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 411 Temperature: 1.000000 Total energy: -2134.799241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2134.799241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2134.799241 (E_RNA) where: Base-Base interactions energy: -1427.437 where: short stacking energy: -636.938 Base-Backbone interact. energy: -1.201 local terms energy: -706.160685 where: bonds (distance) C4'-P energy: -126.936 bonds (distance) P-C4' energy: -130.928 flat angles C4'-P-C4' energy: -141.096 flat angles P-C4'-P energy: -106.452 tors. eta vs tors. theta energy: -200.749 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 411 Temperature: 1.050000 Total energy: -2013.601177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2013.601177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2013.601177 (E_RNA) where: Base-Base interactions energy: -1384.587 where: short stacking energy: -556.501 Base-Backbone interact. energy: -3.824 local terms energy: -625.190570 where: bonds (distance) C4'-P energy: -121.093 bonds (distance) P-C4' energy: -114.899 flat angles C4'-P-C4' energy: -135.815 flat angles P-C4'-P energy: -75.304 tors. eta vs tors. theta energy: -178.081 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 411 Temperature: 1.100000 Total energy: -1911.543461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1911.543461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1911.543461 (E_RNA) where: Base-Base interactions energy: -1257.224 where: short stacking energy: -521.319 Base-Backbone interact. energy: -2.235 local terms energy: -652.084777 where: bonds (distance) C4'-P energy: -121.844 bonds (distance) P-C4' energy: -132.905 flat angles C4'-P-C4' energy: -131.989 flat angles P-C4'-P energy: -91.051 tors. eta vs tors. theta energy: -174.297 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: 10 ===================================== Write number: 411 Temperature: 1.150000 Total energy: -1598.341051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1598.341051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1598.341051 (E_RNA) where: Base-Base interactions energy: -1018.618 where: short stacking energy: -464.927 Base-Backbone interact. energy: 4.961 local terms energy: -584.684693 where: bonds (distance) C4'-P energy: -113.044 bonds (distance) P-C4' energy: -125.554 flat angles C4'-P-C4' energy: -131.668 flat angles P-C4'-P energy: -79.155 tors. eta vs tors. theta energy: -135.263 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 411 Temperature: 1.200000 Total energy: -1006.952303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1006.952303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1006.952303 (E_RNA) where: Base-Base interactions energy: -571.070 where: short stacking energy: -262.222 Base-Backbone interact. energy: -6.741 local terms energy: -429.141122 where: bonds (distance) C4'-P energy: -100.844 bonds (distance) P-C4' energy: -110.654 flat angles C4'-P-C4' energy: -125.722 flat angles P-C4'-P energy: -64.484 tors. eta vs tors. theta energy: -27.437 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: 3 ===================================== Write number: 411 Temperature: 1.250000 Total energy: -743.575124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -743.575124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -743.575124 (E_RNA) where: Base-Base interactions energy: -372.787 where: short stacking energy: -203.555 Base-Backbone interact. energy: -0.749 local terms energy: -370.039063 where: bonds (distance) C4'-P energy: -105.604 bonds (distance) P-C4' energy: -109.084 flat angles C4'-P-C4' energy: -98.865 flat angles P-C4'-P energy: -58.939 tors. eta vs tors. theta energy: 2.453 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 411 Temperature: 1.300000 Total energy: -674.582110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -674.582110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -674.582110 (E_RNA) where: Base-Base interactions energy: -330.801 where: short stacking energy: -208.235 Base-Backbone interact. energy: 1.035 local terms energy: -344.816219 where: bonds (distance) C4'-P energy: -121.749 bonds (distance) P-C4' energy: -111.781 flat angles C4'-P-C4' energy: -77.437 flat angles P-C4'-P energy: -50.053 tors. eta vs tors. theta energy: 16.203 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 411 Temperature: 1.350000 Total energy: -480.230001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -480.230001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -480.230001 (E_RNA) where: Base-Base interactions energy: -164.094 where: short stacking energy: -108.949 Base-Backbone interact. energy: 3.172 local terms energy: -319.308345 where: bonds (distance) C4'-P energy: -105.086 bonds (distance) P-C4' energy: -106.995 flat angles C4'-P-C4' energy: -84.989 flat angles P-C4'-P energy: -54.847 tors. eta vs tors. theta energy: 32.608 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: 7 ===================================== Write number: 412 Temperature: 0.900000 Total energy: -2314.662242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2314.662242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2314.662242 (E_RNA) where: Base-Base interactions energy: -1554.122 where: short stacking energy: -678.993 Base-Backbone interact. energy: -0.523 local terms energy: -760.016431 where: bonds (distance) C4'-P energy: -124.793 bonds (distance) P-C4' energy: -150.311 flat angles C4'-P-C4' energy: -156.642 flat angles P-C4'-P energy: -106.329 tors. eta vs tors. theta energy: -221.942 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 412 Temperature: 0.950000 Total energy: -2229.426750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2229.426750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2229.426750 (E_RNA) where: Base-Base interactions energy: -1555.391 where: short stacking energy: -655.389 Base-Backbone interact. energy: 2.776 local terms energy: -676.811669 where: bonds (distance) C4'-P energy: -125.292 bonds (distance) P-C4' energy: -127.190 flat angles C4'-P-C4' energy: -139.579 flat angles P-C4'-P energy: -82.470 tors. eta vs tors. theta energy: -202.281 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: 6 ===================================== Write number: 412 Temperature: 1.000000 Total energy: -2129.354805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2129.354805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2129.354805 (E_RNA) where: Base-Base interactions energy: -1437.026 where: short stacking energy: -638.574 Base-Backbone interact. energy: -0.386 local terms energy: -691.942743 where: bonds (distance) C4'-P energy: -121.057 bonds (distance) P-C4' energy: -124.700 flat angles C4'-P-C4' energy: -154.154 flat angles P-C4'-P energy: -95.055 tors. eta vs tors. theta energy: -196.977 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 412 Temperature: 1.050000 Total energy: -2043.486545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2043.486545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2043.486545 (E_RNA) where: Base-Base interactions energy: -1376.614 where: short stacking energy: -546.258 Base-Backbone interact. energy: -1.300 local terms energy: -665.572192 where: bonds (distance) C4'-P energy: -130.484 bonds (distance) P-C4' energy: -123.469 flat angles C4'-P-C4' energy: -140.178 flat angles P-C4'-P energy: -89.629 tors. eta vs tors. theta energy: -181.811 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 412 Temperature: 1.100000 Total energy: -1865.758147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1865.758147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1865.758147 (E_RNA) where: Base-Base interactions energy: -1257.101 where: short stacking energy: -495.367 Base-Backbone interact. energy: -1.990 local terms energy: -606.666717 where: bonds (distance) C4'-P energy: -124.878 bonds (distance) P-C4' energy: -103.546 flat angles C4'-P-C4' energy: -139.404 flat angles P-C4'-P energy: -95.064 tors. eta vs tors. theta energy: -143.776 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 412 Temperature: 1.150000 Total energy: -1566.655289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1566.655289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1566.655289 (E_RNA) where: Base-Base interactions energy: -1062.467 where: short stacking energy: -440.593 Base-Backbone interact. energy: -1.122 local terms energy: -503.066846 where: bonds (distance) C4'-P energy: -104.528 bonds (distance) P-C4' energy: -109.367 flat angles C4'-P-C4' energy: -112.392 flat angles P-C4'-P energy: -65.757 tors. eta vs tors. theta energy: -111.023 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: 1 ===================================== Write number: 412 Temperature: 1.200000 Total energy: -1089.119373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1089.119373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1089.119373 (E_RNA) where: Base-Base interactions energy: -616.818 where: short stacking energy: -304.625 Base-Backbone interact. energy: 4.586 local terms energy: -476.887807 where: bonds (distance) C4'-P energy: -104.450 bonds (distance) P-C4' energy: -124.864 flat angles C4'-P-C4' energy: -119.249 flat angles P-C4'-P energy: -80.937 tors. eta vs tors. theta energy: -47.387 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 412 Temperature: 1.250000 Total energy: -714.539571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -714.539571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -714.539571 (E_RNA) where: Base-Base interactions energy: -318.728 where: short stacking energy: -189.595 Base-Backbone interact. energy: 1.913 local terms energy: -397.724339 where: bonds (distance) C4'-P energy: -113.665 bonds (distance) P-C4' energy: -101.761 flat angles C4'-P-C4' energy: -115.797 flat angles P-C4'-P energy: -59.634 tors. eta vs tors. theta energy: -6.867 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: 9 ===================================== Write number: 412 Temperature: 1.300000 Total energy: -653.917957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -653.917957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -653.917957 (E_RNA) where: Base-Base interactions energy: -281.849 where: short stacking energy: -191.493 Base-Backbone interact. energy: -2.526 local terms energy: -369.543376 where: bonds (distance) C4'-P energy: -110.446 bonds (distance) P-C4' energy: -107.539 flat angles C4'-P-C4' energy: -95.388 flat angles P-C4'-P energy: -51.649 tors. eta vs tors. theta energy: -4.521 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: 4 ===================================== Write number: 412 Temperature: 1.350000 Total energy: -489.602443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -489.602443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -489.602443 (E_RNA) where: Base-Base interactions energy: -173.255 where: short stacking energy: -142.602 Base-Backbone interact. energy: 1.867 local terms energy: -318.215162 where: bonds (distance) C4'-P energy: -101.940 bonds (distance) P-C4' energy: -97.675 flat angles C4'-P-C4' energy: -87.593 flat angles P-C4'-P energy: -53.572 tors. eta vs tors. theta energy: 22.565 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 413 Temperature: 0.900000 Total energy: -2285.868589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2285.868589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2285.868589 (E_RNA) where: Base-Base interactions energy: -1543.612 where: short stacking energy: -652.186 Base-Backbone interact. energy: -2.116 local terms energy: -740.141299 where: bonds (distance) C4'-P energy: -133.962 bonds (distance) P-C4' energy: -132.505 flat angles C4'-P-C4' energy: -152.650 flat angles P-C4'-P energy: -97.578 tors. eta vs tors. theta energy: -223.446 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: 2, replica: 8 ===================================== Write number: 413 Temperature: 0.950000 Total energy: -2252.390058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2252.390058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2252.390058 (E_RNA) where: Base-Base interactions energy: -1548.601 where: short stacking energy: -638.140 Base-Backbone interact. energy: 0.893 local terms energy: -704.681997 where: bonds (distance) C4'-P energy: -120.344 bonds (distance) P-C4' energy: -122.498 flat angles C4'-P-C4' energy: -152.650 flat angles P-C4'-P energy: -99.886 tors. eta vs tors. theta energy: -209.303 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 413 Temperature: 1.000000 Total energy: -2132.333113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2132.333113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2132.333113 (E_RNA) where: Base-Base interactions energy: -1435.807 where: short stacking energy: -622.316 Base-Backbone interact. energy: -4.760 local terms energy: -691.766208 where: bonds (distance) C4'-P energy: -120.327 bonds (distance) P-C4' energy: -132.270 flat angles C4'-P-C4' energy: -146.897 flat angles P-C4'-P energy: -98.121 tors. eta vs tors. theta energy: -194.151 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 413 Temperature: 1.050000 Total energy: -2047.015533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2047.015533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2047.015533 (E_RNA) where: Base-Base interactions energy: -1382.418 where: short stacking energy: -571.425 Base-Backbone interact. energy: 3.922 local terms energy: -668.519183 where: bonds (distance) C4'-P energy: -121.822 bonds (distance) P-C4' energy: -137.362 flat angles C4'-P-C4' energy: -139.179 flat angles P-C4'-P energy: -83.359 tors. eta vs tors. theta energy: -186.798 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: 5, replica: 5 ===================================== Write number: 413 Temperature: 1.100000 Total energy: -1898.648857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1898.648857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1898.648857 (E_RNA) where: Base-Base interactions energy: -1254.234 where: short stacking energy: -545.639 Base-Backbone interact. energy: -1.189 local terms energy: -643.226343 where: bonds (distance) C4'-P energy: -132.062 bonds (distance) P-C4' energy: -121.346 flat angles C4'-P-C4' energy: -128.170 flat angles P-C4'-P energy: -85.504 tors. eta vs tors. theta energy: -176.144 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 413 Temperature: 1.150000 Total energy: -1569.566365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1569.566365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1569.566365 (E_RNA) where: Base-Base interactions energy: -1010.422 where: short stacking energy: -416.576 Base-Backbone interact. energy: -3.191 local terms energy: -555.953448 where: bonds (distance) C4'-P energy: -101.377 bonds (distance) P-C4' energy: -119.190 flat angles C4'-P-C4' energy: -122.731 flat angles P-C4'-P energy: -100.247 tors. eta vs tors. theta energy: -112.409 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: 1 ===================================== Write number: 413 Temperature: 1.200000 Total energy: -1078.775471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1078.775471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1078.775471 (E_RNA) where: Base-Base interactions energy: -647.756 where: short stacking energy: -296.443 Base-Backbone interact. energy: 3.744 local terms energy: -434.763144 where: bonds (distance) C4'-P energy: -107.608 bonds (distance) P-C4' energy: -107.866 flat angles C4'-P-C4' energy: -98.145 flat angles P-C4'-P energy: -73.033 tors. eta vs tors. theta energy: -48.111 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: 3 ===================================== Write number: 413 Temperature: 1.250000 Total energy: -753.375560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -753.375560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -753.375560 (E_RNA) where: Base-Base interactions energy: -366.225 where: short stacking energy: -180.432 Base-Backbone interact. energy: 5.303 local terms energy: -392.453680 where: bonds (distance) C4'-P energy: -99.673 bonds (distance) P-C4' energy: -126.339 flat angles C4'-P-C4' energy: -110.171 flat angles P-C4'-P energy: -65.889 tors. eta vs tors. theta energy: 9.619 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 413 Temperature: 1.300000 Total energy: -636.678729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -636.678729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -636.678729 (E_RNA) where: Base-Base interactions energy: -284.448 where: short stacking energy: -176.810 Base-Backbone interact. energy: 0.333 local terms energy: -352.564313 where: bonds (distance) C4'-P energy: -90.990 bonds (distance) P-C4' energy: -109.231 flat angles C4'-P-C4' energy: -83.958 flat angles P-C4'-P energy: -70.230 tors. eta vs tors. theta energy: 1.846 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: 413 Temperature: 1.350000 Total energy: -488.056836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -488.056836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -488.056836 (E_RNA) where: Base-Base interactions energy: -148.427 where: short stacking energy: -115.164 Base-Backbone interact. energy: -1.464 local terms energy: -338.165354 where: bonds (distance) C4'-P energy: -114.631 bonds (distance) P-C4' energy: -99.176 flat angles C4'-P-C4' energy: -99.502 flat angles P-C4'-P energy: -48.909 tors. eta vs tors. theta energy: 24.052 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 414 Temperature: 0.900000 Total energy: -2255.229907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2255.229907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2255.229907 (E_RNA) where: Base-Base interactions energy: -1523.390 where: short stacking energy: -663.290 Base-Backbone interact. energy: -3.705 local terms energy: -728.134675 where: bonds (distance) C4'-P energy: -131.480 bonds (distance) P-C4' energy: -124.190 flat angles C4'-P-C4' energy: -145.638 flat angles P-C4'-P energy: -118.189 tors. eta vs tors. theta energy: -208.637 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 414 Temperature: 0.950000 Total energy: -2240.431034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2240.431034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2240.431034 (E_RNA) where: Base-Base interactions energy: -1524.499 where: short stacking energy: -619.759 Base-Backbone interact. energy: -2.360 local terms energy: -713.571740 where: bonds (distance) C4'-P energy: -137.293 bonds (distance) P-C4' energy: -130.748 flat angles C4'-P-C4' energy: -147.132 flat angles P-C4'-P energy: -98.650 tors. eta vs tors. theta energy: -199.750 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 414 Temperature: 1.000000 Total energy: -2128.892639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2128.892639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2128.892639 (E_RNA) where: Base-Base interactions energy: -1432.690 where: short stacking energy: -625.872 Base-Backbone interact. energy: -0.992 local terms energy: -695.210502 where: bonds (distance) C4'-P energy: -125.985 bonds (distance) P-C4' energy: -122.812 flat angles C4'-P-C4' energy: -156.948 flat angles P-C4'-P energy: -93.171 tors. eta vs tors. theta energy: -196.295 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: 2 ===================================== Write number: 414 Temperature: 1.050000 Total energy: -2095.738915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2095.738915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2095.738915 (E_RNA) where: Base-Base interactions energy: -1441.213 where: short stacking energy: -588.227 Base-Backbone interact. energy: -1.570 local terms energy: -652.956758 where: bonds (distance) C4'-P energy: -85.444 bonds (distance) P-C4' energy: -135.628 flat angles C4'-P-C4' energy: -151.463 flat angles P-C4'-P energy: -86.246 tors. eta vs tors. theta energy: -194.176 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 414 Temperature: 1.100000 Total energy: -1936.523245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1936.523245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1936.523245 (E_RNA) where: Base-Base interactions energy: -1286.491 where: short stacking energy: -547.339 Base-Backbone interact. energy: 0.317 local terms energy: -650.348469 where: bonds (distance) C4'-P energy: -123.873 bonds (distance) P-C4' energy: -128.350 flat angles C4'-P-C4' energy: -146.067 flat angles P-C4'-P energy: -83.233 tors. eta vs tors. theta energy: -168.824 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: 10 ===================================== Write number: 414 Temperature: 1.150000 Total energy: -1568.538331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1568.538331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1568.538331 (E_RNA) where: Base-Base interactions energy: -1003.957 where: short stacking energy: -425.997 Base-Backbone interact. energy: -5.034 local terms energy: -559.547848 where: bonds (distance) C4'-P energy: -110.467 bonds (distance) P-C4' energy: -135.625 flat angles C4'-P-C4' energy: -121.085 flat angles P-C4'-P energy: -83.694 tors. eta vs tors. theta energy: -108.677 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 414 Temperature: 1.200000 Total energy: -1158.666015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1158.666015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1158.666015 (E_RNA) where: Base-Base interactions energy: -689.335 where: short stacking energy: -309.924 Base-Backbone interact. energy: -2.552 local terms energy: -466.779041 where: bonds (distance) C4'-P energy: -102.875 bonds (distance) P-C4' energy: -114.281 flat angles C4'-P-C4' energy: -98.844 flat angles P-C4'-P energy: -82.396 tors. eta vs tors. theta energy: -68.383 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: 3 ===================================== Write number: 414 Temperature: 1.250000 Total energy: -859.205845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -859.205845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -859.205845 (E_RNA) where: Base-Base interactions energy: -448.894 where: short stacking energy: -226.328 Base-Backbone interact. energy: -3.498 local terms energy: -406.813412 where: bonds (distance) C4'-P energy: -104.852 bonds (distance) P-C4' energy: -119.117 flat angles C4'-P-C4' energy: -114.117 flat angles P-C4'-P energy: -53.685 tors. eta vs tors. theta energy: -15.042 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: 9 ===================================== Write number: 414 Temperature: 1.300000 Total energy: -610.899936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -610.899936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -610.899936 (E_RNA) where: Base-Base interactions energy: -267.900 where: short stacking energy: -166.005 Base-Backbone interact. energy: -3.299 local terms energy: -339.700804 where: bonds (distance) C4'-P energy: -94.353 bonds (distance) P-C4' energy: -95.485 flat angles C4'-P-C4' energy: -100.578 flat angles P-C4'-P energy: -68.492 tors. eta vs tors. theta energy: 19.208 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 414 Temperature: 1.350000 Total energy: -498.875251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -498.875251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -498.875251 (E_RNA) where: Base-Base interactions energy: -186.912 where: short stacking energy: -129.540 Base-Backbone interact. energy: 0.405 local terms energy: -312.368883 where: bonds (distance) C4'-P energy: -92.910 bonds (distance) P-C4' energy: -108.847 flat angles C4'-P-C4' energy: -94.264 flat angles P-C4'-P energy: -64.833 tors. eta vs tors. theta energy: 48.485 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 415 Temperature: 0.900000 Total energy: -2272.491617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2272.491617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2272.491617 (E_RNA) where: Base-Base interactions energy: -1568.711 where: short stacking energy: -621.611 Base-Backbone interact. energy: 1.914 local terms energy: -705.694605 where: bonds (distance) C4'-P energy: -127.195 bonds (distance) P-C4' energy: -136.582 flat angles C4'-P-C4' energy: -145.291 flat angles P-C4'-P energy: -91.402 tors. eta vs tors. theta energy: -205.225 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 415 Temperature: 0.950000 Total energy: -2240.071001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2240.071001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2240.071001 (E_RNA) where: Base-Base interactions energy: -1519.972 where: short stacking energy: -617.464 Base-Backbone interact. energy: -4.409 local terms energy: -715.690688 where: bonds (distance) C4'-P energy: -129.463 bonds (distance) P-C4' energy: -132.418 flat angles C4'-P-C4' energy: -157.918 flat angles P-C4'-P energy: -102.110 tors. eta vs tors. theta energy: -193.782 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: 6 ===================================== Write number: 415 Temperature: 1.000000 Total energy: -2091.936048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2091.936048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2091.936048 (E_RNA) where: Base-Base interactions energy: -1413.120 where: short stacking energy: -590.700 Base-Backbone interact. energy: -2.142 local terms energy: -676.673960 where: bonds (distance) C4'-P energy: -124.659 bonds (distance) P-C4' energy: -113.800 flat angles C4'-P-C4' energy: -150.002 flat angles P-C4'-P energy: -96.389 tors. eta vs tors. theta energy: -191.824 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 415 Temperature: 1.050000 Total energy: -2059.164181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2059.164181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2059.164181 (E_RNA) where: Base-Base interactions energy: -1385.116 where: short stacking energy: -582.168 Base-Backbone interact. energy: -0.793 local terms energy: -673.255013 where: bonds (distance) C4'-P energy: -122.010 bonds (distance) P-C4' energy: -128.705 flat angles C4'-P-C4' energy: -143.629 flat angles P-C4'-P energy: -87.478 tors. eta vs tors. theta energy: -191.432 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: 5 ===================================== Write number: 415 Temperature: 1.100000 Total energy: -1898.167636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1898.167636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1898.167636 (E_RNA) where: Base-Base interactions energy: -1309.344 where: short stacking energy: -543.078 Base-Backbone interact. energy: 0.540 local terms energy: -589.363904 where: bonds (distance) C4'-P energy: -103.190 bonds (distance) P-C4' energy: -102.707 flat angles C4'-P-C4' energy: -131.090 flat angles P-C4'-P energy: -82.945 tors. eta vs tors. theta energy: -169.432 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: 10 ===================================== Write number: 415 Temperature: 1.150000 Total energy: -1569.349096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1569.349096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1569.349096 (E_RNA) where: Base-Base interactions energy: -994.565 where: short stacking energy: -426.229 Base-Backbone interact. energy: -1.744 local terms energy: -573.040188 where: bonds (distance) C4'-P energy: -126.459 bonds (distance) P-C4' energy: -126.737 flat angles C4'-P-C4' energy: -111.334 flat angles P-C4'-P energy: -92.265 tors. eta vs tors. theta energy: -116.245 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: 1 ===================================== Write number: 415 Temperature: 1.200000 Total energy: -1168.661050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1168.661050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1168.661050 (E_RNA) where: Base-Base interactions energy: -702.306 where: short stacking energy: -305.104 Base-Backbone interact. energy: 0.677 local terms energy: -467.031666 where: bonds (distance) C4'-P energy: -115.226 bonds (distance) P-C4' energy: -114.423 flat angles C4'-P-C4' energy: -113.822 flat angles P-C4'-P energy: -60.009 tors. eta vs tors. theta energy: -63.551 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 415 Temperature: 1.250000 Total energy: -841.056287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -841.056287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -841.056287 (E_RNA) where: Base-Base interactions energy: -440.614 where: short stacking energy: -210.473 Base-Backbone interact. energy: -0.696 local terms energy: -399.746771 where: bonds (distance) C4'-P energy: -90.760 bonds (distance) P-C4' energy: -115.454 flat angles C4'-P-C4' energy: -119.603 flat angles P-C4'-P energy: -61.772 tors. eta vs tors. theta energy: -12.158 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: 9 ===================================== Write number: 415 Temperature: 1.300000 Total energy: -630.841524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -630.841524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -630.841524 (E_RNA) where: Base-Base interactions energy: -272.805 where: short stacking energy: -196.629 Base-Backbone interact. energy: -5.238 local terms energy: -352.798512 where: bonds (distance) C4'-P energy: -105.159 bonds (distance) P-C4' energy: -105.147 flat angles C4'-P-C4' energy: -104.586 flat angles P-C4'-P energy: -44.035 tors. eta vs tors. theta energy: 6.129 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 415 Temperature: 1.350000 Total energy: -495.017517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -495.017517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -495.017517 (E_RNA) where: Base-Base interactions energy: -151.839 where: short stacking energy: -116.567 Base-Backbone interact. energy: -2.712 local terms energy: -340.466431 where: bonds (distance) C4'-P energy: -116.597 bonds (distance) P-C4' energy: -120.701 flat angles C4'-P-C4' energy: -79.582 flat angles P-C4'-P energy: -61.384 tors. eta vs tors. theta energy: 37.797 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 416 Temperature: 0.900000 Total energy: -2275.448988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2275.448988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2275.448988 (E_RNA) where: Base-Base interactions energy: -1551.438 where: short stacking energy: -658.918 Base-Backbone interact. energy: -2.358 local terms energy: -721.652639 where: bonds (distance) C4'-P energy: -125.681 bonds (distance) P-C4' energy: -134.954 flat angles C4'-P-C4' energy: -154.342 flat angles P-C4'-P energy: -101.188 tors. eta vs tors. theta energy: -205.487 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: 8 ===================================== Write number: 416 Temperature: 0.950000 Total energy: -2243.769484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2243.769484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2243.769484 (E_RNA) where: Base-Base interactions energy: -1549.365 where: short stacking energy: -626.091 Base-Backbone interact. energy: -1.209 local terms energy: -693.195603 where: bonds (distance) C4'-P energy: -128.592 bonds (distance) P-C4' energy: -118.151 flat angles C4'-P-C4' energy: -142.616 flat angles P-C4'-P energy: -103.865 tors. eta vs tors. theta energy: -199.972 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 416 Temperature: 1.000000 Total energy: -2138.463770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2138.463770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2138.463770 (E_RNA) where: Base-Base interactions energy: -1467.629 where: short stacking energy: -598.153 Base-Backbone interact. energy: -0.216 local terms energy: -670.619139 where: bonds (distance) C4'-P energy: -126.949 bonds (distance) P-C4' energy: -115.909 flat angles C4'-P-C4' energy: -141.620 flat angles P-C4'-P energy: -88.900 tors. eta vs tors. theta energy: -197.241 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 416 Temperature: 1.050000 Total energy: -2011.951044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2011.951044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2011.951044 (E_RNA) where: Base-Base interactions energy: -1351.283 where: short stacking energy: -565.657 Base-Backbone interact. energy: -3.822 local terms energy: -656.846446 where: bonds (distance) C4'-P energy: -133.859 bonds (distance) P-C4' energy: -124.402 flat angles C4'-P-C4' energy: -136.793 flat angles P-C4'-P energy: -93.504 tors. eta vs tors. theta energy: -168.288 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 416 Temperature: 1.100000 Total energy: -1862.064516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1862.064516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1862.064516 (E_RNA) where: Base-Base interactions energy: -1248.101 where: short stacking energy: -523.400 Base-Backbone interact. energy: -1.828 local terms energy: -612.135568 where: bonds (distance) C4'-P energy: -115.905 bonds (distance) P-C4' energy: -109.849 flat angles C4'-P-C4' energy: -127.433 flat angles P-C4'-P energy: -95.257 tors. eta vs tors. theta energy: -163.691 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 416 Temperature: 1.150000 Total energy: -1639.973936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1639.973936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1639.973936 (E_RNA) where: Base-Base interactions energy: -1078.454 where: short stacking energy: -463.030 Base-Backbone interact. energy: 1.463 local terms energy: -562.982821 where: bonds (distance) C4'-P energy: -115.231 bonds (distance) P-C4' energy: -112.322 flat angles C4'-P-C4' energy: -120.411 flat angles P-C4'-P energy: -82.863 tors. eta vs tors. theta energy: -132.155 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 416 Temperature: 1.200000 Total energy: -1073.989732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1073.989732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1073.989732 (E_RNA) where: Base-Base interactions energy: -619.559 where: short stacking energy: -301.895 Base-Backbone interact. energy: -3.980 local terms energy: -450.450291 where: bonds (distance) C4'-P energy: -106.371 bonds (distance) P-C4' energy: -107.561 flat angles C4'-P-C4' energy: -102.885 flat angles P-C4'-P energy: -76.965 tors. eta vs tors. theta energy: -56.669 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 416 Temperature: 1.250000 Total energy: -797.632057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -797.632057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -797.632057 (E_RNA) where: Base-Base interactions energy: -391.960 where: short stacking energy: -235.219 Base-Backbone interact. energy: -1.534 local terms energy: -404.138933 where: bonds (distance) C4'-P energy: -106.461 bonds (distance) P-C4' energy: -105.846 flat angles C4'-P-C4' energy: -106.579 flat angles P-C4'-P energy: -53.794 tors. eta vs tors. theta energy: -31.460 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: 9 ===================================== Write number: 416 Temperature: 1.300000 Total energy: -590.991390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -590.991390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -590.991390 (E_RNA) where: Base-Base interactions energy: -234.035 where: short stacking energy: -173.010 Base-Backbone interact. energy: 2.739 local terms energy: -359.695696 where: bonds (distance) C4'-P energy: -110.332 bonds (distance) P-C4' energy: -114.627 flat angles C4'-P-C4' energy: -106.596 flat angles P-C4'-P energy: -46.457 tors. eta vs tors. theta energy: 18.316 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: 416 Temperature: 1.350000 Total energy: -490.731739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -490.731739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -490.731739 (E_RNA) where: Base-Base interactions energy: -157.250 where: short stacking energy: -139.032 Base-Backbone interact. energy: 3.439 local terms energy: -336.920279 where: bonds (distance) C4'-P energy: -103.846 bonds (distance) P-C4' energy: -103.457 flat angles C4'-P-C4' energy: -92.986 flat angles P-C4'-P energy: -58.669 tors. eta vs tors. theta energy: 22.039 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: 7 ===================================== Write number: 417 Temperature: 0.900000 Total energy: -2282.734639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2282.734639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2282.734639 (E_RNA) where: Base-Base interactions energy: -1527.263 where: short stacking energy: -634.634 Base-Backbone interact. energy: -2.659 local terms energy: -752.813188 where: bonds (distance) C4'-P energy: -145.829 bonds (distance) P-C4' energy: -138.534 flat angles C4'-P-C4' energy: -158.426 flat angles P-C4'-P energy: -94.501 tors. eta vs tors. theta energy: -215.523 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 417 Temperature: 0.950000 Total energy: -2239.996551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2239.996551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2239.996551 (E_RNA) where: Base-Base interactions energy: -1525.026 where: short stacking energy: -626.278 Base-Backbone interact. energy: -3.098 local terms energy: -711.872018 where: bonds (distance) C4'-P energy: -135.819 bonds (distance) P-C4' energy: -130.295 flat angles C4'-P-C4' energy: -148.978 flat angles P-C4'-P energy: -88.644 tors. eta vs tors. theta energy: -208.136 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 417 Temperature: 1.000000 Total energy: -2122.302013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2122.302013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2122.302013 (E_RNA) where: Base-Base interactions energy: -1453.952 where: short stacking energy: -582.597 Base-Backbone interact. energy: -3.053 local terms energy: -665.296311 where: bonds (distance) C4'-P energy: -131.563 bonds (distance) P-C4' energy: -112.338 flat angles C4'-P-C4' energy: -140.430 flat angles P-C4'-P energy: -86.094 tors. eta vs tors. theta energy: -194.871 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: 6 ===================================== Write number: 417 Temperature: 1.050000 Total energy: -2071.633718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2071.633718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2071.633718 (E_RNA) where: Base-Base interactions energy: -1411.707 where: short stacking energy: -594.314 Base-Backbone interact. energy: -3.677 local terms energy: -656.249716 where: bonds (distance) C4'-P energy: -118.647 bonds (distance) P-C4' energy: -128.824 flat angles C4'-P-C4' energy: -130.566 flat angles P-C4'-P energy: -97.745 tors. eta vs tors. theta energy: -180.468 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: 5 ===================================== Write number: 417 Temperature: 1.100000 Total energy: -1866.479741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1866.479741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1866.479741 (E_RNA) where: Base-Base interactions energy: -1247.128 where: short stacking energy: -524.880 Base-Backbone interact. energy: 1.333 local terms energy: -620.683914 where: bonds (distance) C4'-P energy: -108.880 bonds (distance) P-C4' energy: -123.320 flat angles C4'-P-C4' energy: -137.333 flat angles P-C4'-P energy: -91.651 tors. eta vs tors. theta energy: -159.500 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 417 Temperature: 1.150000 Total energy: -1554.498782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1554.498782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1554.498782 (E_RNA) where: Base-Base interactions energy: -1009.698 where: short stacking energy: -434.482 Base-Backbone interact. energy: -2.908 local terms energy: -541.892805 where: bonds (distance) C4'-P energy: -102.995 bonds (distance) P-C4' energy: -127.561 flat angles C4'-P-C4' energy: -122.756 flat angles P-C4'-P energy: -69.300 tors. eta vs tors. theta energy: -119.281 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: 1 ===================================== Write number: 417 Temperature: 1.200000 Total energy: -1106.611497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1106.611497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1106.611497 (E_RNA) where: Base-Base interactions energy: -631.802 where: short stacking energy: -303.615 Base-Backbone interact. energy: -1.019 local terms energy: -473.791063 where: bonds (distance) C4'-P energy: -117.570 bonds (distance) P-C4' energy: -121.462 flat angles C4'-P-C4' energy: -125.733 flat angles P-C4'-P energy: -53.656 tors. eta vs tors. theta energy: -55.371 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 417 Temperature: 1.250000 Total energy: -789.746890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -789.746890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -789.746890 (E_RNA) where: Base-Base interactions energy: -395.439 where: short stacking energy: -208.470 Base-Backbone interact. energy: 1.351 local terms energy: -395.658877 where: bonds (distance) C4'-P energy: -110.575 bonds (distance) P-C4' energy: -106.984 flat angles C4'-P-C4' energy: -103.386 flat angles P-C4'-P energy: -58.697 tors. eta vs tors. theta energy: -16.017 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 417 Temperature: 1.300000 Total energy: -584.852031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -584.852031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -584.852031 (E_RNA) where: Base-Base interactions energy: -219.554 where: short stacking energy: -148.335 Base-Backbone interact. energy: 0.956 local terms energy: -366.254333 where: bonds (distance) C4'-P energy: -102.918 bonds (distance) P-C4' energy: -120.597 flat angles C4'-P-C4' energy: -99.652 flat angles P-C4'-P energy: -68.500 tors. eta vs tors. theta energy: 25.412 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 417 Temperature: 1.350000 Total energy: -468.993508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -468.993508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -468.993508 (E_RNA) where: Base-Base interactions energy: -155.770 where: short stacking energy: -126.196 Base-Backbone interact. energy: -2.827 local terms energy: -310.397205 where: bonds (distance) C4'-P energy: -114.301 bonds (distance) P-C4' energy: -118.470 flat angles C4'-P-C4' energy: -88.284 flat angles P-C4'-P energy: -21.784 tors. eta vs tors. theta energy: 32.442 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: 7 ===================================== Write number: 418 Temperature: 0.900000 Total energy: -2262.308867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2262.308867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2262.308867 (E_RNA) where: Base-Base interactions energy: -1546.856 where: short stacking energy: -665.481 Base-Backbone interact. energy: -2.136 local terms energy: -713.316008 where: bonds (distance) C4'-P energy: -131.929 bonds (distance) P-C4' energy: -136.824 flat angles C4'-P-C4' energy: -139.428 flat angles P-C4'-P energy: -97.544 tors. eta vs tors. theta energy: -207.590 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 418 Temperature: 0.950000 Total energy: -2253.206324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2253.206324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2253.206324 (E_RNA) where: Base-Base interactions energy: -1553.557 where: short stacking energy: -623.848 Base-Backbone interact. energy: 0.357 local terms energy: -700.006363 where: bonds (distance) C4'-P energy: -132.837 bonds (distance) P-C4' energy: -131.239 flat angles C4'-P-C4' energy: -143.564 flat angles P-C4'-P energy: -91.436 tors. eta vs tors. theta energy: -200.931 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 418 Temperature: 1.000000 Total energy: -2125.056948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2125.056948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2125.056948 (E_RNA) where: Base-Base interactions energy: -1456.228 where: short stacking energy: -613.927 Base-Backbone interact. energy: 0.080 local terms energy: -668.909375 where: bonds (distance) C4'-P energy: -117.740 bonds (distance) P-C4' energy: -128.845 flat angles C4'-P-C4' energy: -149.048 flat angles P-C4'-P energy: -83.550 tors. eta vs tors. theta energy: -189.726 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 418 Temperature: 1.050000 Total energy: -2068.541148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2068.541148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2068.541148 (E_RNA) where: Base-Base interactions energy: -1416.604 where: short stacking energy: -592.471 Base-Backbone interact. energy: -0.874 local terms energy: -651.062609 where: bonds (distance) C4'-P energy: -116.666 bonds (distance) P-C4' energy: -121.092 flat angles C4'-P-C4' energy: -130.882 flat angles P-C4'-P energy: -85.445 tors. eta vs tors. theta energy: -196.977 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: 5 ===================================== Write number: 418 Temperature: 1.100000 Total energy: -1906.002591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1906.002591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1906.002591 (E_RNA) where: Base-Base interactions energy: -1301.488 where: short stacking energy: -546.699 Base-Backbone interact. energy: -3.593 local terms energy: -600.922033 where: bonds (distance) C4'-P energy: -117.201 bonds (distance) P-C4' energy: -122.864 flat angles C4'-P-C4' energy: -116.739 flat angles P-C4'-P energy: -77.758 tors. eta vs tors. theta energy: -166.360 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: 10 ===================================== Write number: 418 Temperature: 1.150000 Total energy: -1570.943741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1570.943741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1570.943741 (E_RNA) where: Base-Base interactions energy: -975.727 where: short stacking energy: -453.814 Base-Backbone interact. energy: -0.669 local terms energy: -594.548064 where: bonds (distance) C4'-P energy: -115.164 bonds (distance) P-C4' energy: -122.449 flat angles C4'-P-C4' energy: -133.637 flat angles P-C4'-P energy: -72.370 tors. eta vs tors. theta energy: -150.929 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: 1 ===================================== Write number: 418 Temperature: 1.200000 Total energy: -1118.057906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1118.057906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1118.057906 (E_RNA) where: Base-Base interactions energy: -664.997 where: short stacking energy: -311.533 Base-Backbone interact. energy: -2.778 local terms energy: -450.283188 where: bonds (distance) C4'-P energy: -104.125 bonds (distance) P-C4' energy: -97.255 flat angles C4'-P-C4' energy: -113.660 flat angles P-C4'-P energy: -84.729 tors. eta vs tors. theta energy: -50.514 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 418 Temperature: 1.250000 Total energy: -781.944370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -781.944370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -781.944370 (E_RNA) where: Base-Base interactions energy: -400.605 where: short stacking energy: -212.271 Base-Backbone interact. energy: -0.564 local terms energy: -380.775407 where: bonds (distance) C4'-P energy: -119.605 bonds (distance) P-C4' energy: -115.516 flat angles C4'-P-C4' energy: -80.676 flat angles P-C4'-P energy: -55.689 tors. eta vs tors. theta energy: -9.290 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 418 Temperature: 1.300000 Total energy: -554.946688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -554.946688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -554.946688 (E_RNA) where: Base-Base interactions energy: -179.309 where: short stacking energy: -127.945 Base-Backbone interact. energy: -1.046 local terms energy: -374.591700 where: bonds (distance) C4'-P energy: -92.530 bonds (distance) P-C4' energy: -114.116 flat angles C4'-P-C4' energy: -116.379 flat angles P-C4'-P energy: -65.109 tors. eta vs tors. theta energy: 13.542 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 418 Temperature: 1.350000 Total energy: -566.812264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -566.812264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -566.812264 (E_RNA) where: Base-Base interactions energy: -217.631 where: short stacking energy: -147.768 Base-Backbone interact. energy: 2.078 local terms energy: -351.259225 where: bonds (distance) C4'-P energy: -106.845 bonds (distance) P-C4' energy: -130.967 flat angles C4'-P-C4' energy: -79.235 flat angles P-C4'-P energy: -50.456 tors. eta vs tors. theta energy: 16.244 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 419 Temperature: 0.900000 Total energy: -2258.212671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2258.212671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2258.212671 (E_RNA) where: Base-Base interactions energy: -1531.833 where: short stacking energy: -654.847 Base-Backbone interact. energy: -1.639 local terms energy: -724.740643 where: bonds (distance) C4'-P energy: -143.409 bonds (distance) P-C4' energy: -132.840 flat angles C4'-P-C4' energy: -149.982 flat angles P-C4'-P energy: -94.486 tors. eta vs tors. theta energy: -204.023 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: 8 ===================================== Write number: 419 Temperature: 0.950000 Total energy: -2243.805727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2243.805727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2243.805727 (E_RNA) where: Base-Base interactions energy: -1536.031 where: short stacking energy: -620.290 Base-Backbone interact. energy: -1.238 local terms energy: -706.537155 where: bonds (distance) C4'-P energy: -131.032 bonds (distance) P-C4' energy: -127.697 flat angles C4'-P-C4' energy: -152.190 flat angles P-C4'-P energy: -96.621 tors. eta vs tors. theta energy: -198.997 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 419 Temperature: 1.000000 Total energy: -2132.745470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2132.745470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2132.745470 (E_RNA) where: Base-Base interactions energy: -1428.991 where: short stacking energy: -603.425 Base-Backbone interact. energy: -2.098 local terms energy: -701.656002 where: bonds (distance) C4'-P energy: -123.001 bonds (distance) P-C4' energy: -138.768 flat angles C4'-P-C4' energy: -146.388 flat angles P-C4'-P energy: -104.017 tors. eta vs tors. theta energy: -189.482 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: 4, replica: 6 ===================================== Write number: 419 Temperature: 1.050000 Total energy: -2072.422892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2072.422892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2072.422892 (E_RNA) where: Base-Base interactions energy: -1415.892 where: short stacking energy: -600.878 Base-Backbone interact. energy: 5.108 local terms energy: -661.638622 where: bonds (distance) C4'-P energy: -114.264 bonds (distance) P-C4' energy: -127.193 flat angles C4'-P-C4' energy: -138.338 flat angles P-C4'-P energy: -90.728 tors. eta vs tors. theta energy: -191.116 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 419 Temperature: 1.100000 Total energy: -1923.120011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1923.120011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1923.120011 (E_RNA) where: Base-Base interactions energy: -1288.567 where: short stacking energy: -529.898 Base-Backbone interact. energy: 1.864 local terms energy: -636.416879 where: bonds (distance) C4'-P energy: -113.580 bonds (distance) P-C4' energy: -119.321 flat angles C4'-P-C4' energy: -142.363 flat angles P-C4'-P energy: -83.928 tors. eta vs tors. theta energy: -177.225 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 419 Temperature: 1.150000 Total energy: -1528.461516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1528.461516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1528.461516 (E_RNA) where: Base-Base interactions energy: -977.004 where: short stacking energy: -431.345 Base-Backbone interact. energy: -2.615 local terms energy: -548.842408 where: bonds (distance) C4'-P energy: -116.036 bonds (distance) P-C4' energy: -118.271 flat angles C4'-P-C4' energy: -123.404 flat angles P-C4'-P energy: -67.733 tors. eta vs tors. theta energy: -123.399 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 419 Temperature: 1.200000 Total energy: -1080.786560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1080.786560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1080.786560 (E_RNA) where: Base-Base interactions energy: -634.835 where: short stacking energy: -300.223 Base-Backbone interact. energy: -1.715 local terms energy: -444.237317 where: bonds (distance) C4'-P energy: -103.496 bonds (distance) P-C4' energy: -111.683 flat angles C4'-P-C4' energy: -125.538 flat angles P-C4'-P energy: -53.326 tors. eta vs tors. theta energy: -50.193 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 419 Temperature: 1.250000 Total energy: -745.750748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -745.750748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -745.750748 (E_RNA) where: Base-Base interactions energy: -344.704 where: short stacking energy: -210.978 Base-Backbone interact. energy: -2.125 local terms energy: -398.921099 where: bonds (distance) C4'-P energy: -106.850 bonds (distance) P-C4' energy: -114.888 flat angles C4'-P-C4' energy: -103.168 flat angles P-C4'-P energy: -54.288 tors. eta vs tors. theta energy: -19.726 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: 4 ===================================== Write number: 419 Temperature: 1.300000 Total energy: -552.415089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -552.415089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -552.415089 (E_RNA) where: Base-Base interactions energy: -199.726 where: short stacking energy: -156.602 Base-Backbone interact. energy: 0.135 local terms energy: -352.824120 where: bonds (distance) C4'-P energy: -104.510 bonds (distance) P-C4' energy: -127.140 flat angles C4'-P-C4' energy: -81.389 flat angles P-C4'-P energy: -55.789 tors. eta vs tors. theta energy: 16.004 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: 9 ===================================== Write number: 419 Temperature: 1.350000 Total energy: -605.160486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -605.160486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -605.160486 (E_RNA) where: Base-Base interactions energy: -258.189 where: short stacking energy: -165.781 Base-Backbone interact. energy: 8.629 local terms energy: -355.601179 where: bonds (distance) C4'-P energy: -97.316 bonds (distance) P-C4' energy: -109.414 flat angles C4'-P-C4' energy: -94.345 flat angles P-C4'-P energy: -56.871 tors. eta vs tors. theta energy: 2.345 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: 1, replica: 8 ===================================== Write number: 420 Temperature: 0.900000 Total energy: -2310.579031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2310.579031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2310.579031 (E_RNA) where: Base-Base interactions energy: -1565.608 where: short stacking energy: -650.356 Base-Backbone interact. energy: -3.110 local terms energy: -741.860994 where: bonds (distance) C4'-P energy: -132.038 bonds (distance) P-C4' energy: -139.445 flat angles C4'-P-C4' energy: -152.954 flat angles P-C4'-P energy: -107.081 tors. eta vs tors. theta energy: -210.343 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: 2, replica: 7 ===================================== Write number: 420 Temperature: 0.950000 Total energy: -2213.167293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2213.167293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2213.167293 (E_RNA) where: Base-Base interactions energy: -1478.170 where: short stacking energy: -624.667 Base-Backbone interact. energy: -4.122 local terms energy: -730.875243 where: bonds (distance) C4'-P energy: -123.050 bonds (distance) P-C4' energy: -140.786 flat angles C4'-P-C4' energy: -155.633 flat angles P-C4'-P energy: -99.560 tors. eta vs tors. theta energy: -211.847 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 420 Temperature: 1.000000 Total energy: -2139.791382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2139.791382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2139.791382 (E_RNA) where: Base-Base interactions energy: -1468.548 where: short stacking energy: -596.057 Base-Backbone interact. energy: -1.277 local terms energy: -669.966227 where: bonds (distance) C4'-P energy: -130.932 bonds (distance) P-C4' energy: -124.871 flat angles C4'-P-C4' energy: -141.769 flat angles P-C4'-P energy: -75.478 tors. eta vs tors. theta energy: -196.917 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: 6 ===================================== Write number: 420 Temperature: 1.050000 Total energy: -2091.063918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2091.063918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2091.063918 (E_RNA) where: Base-Base interactions energy: -1407.887 where: short stacking energy: -616.953 Base-Backbone interact. energy: 0.716 local terms energy: -683.892653 where: bonds (distance) C4'-P energy: -123.874 bonds (distance) P-C4' energy: -115.966 flat angles C4'-P-C4' energy: -153.299 flat angles P-C4'-P energy: -91.929 tors. eta vs tors. theta energy: -198.824 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 420 Temperature: 1.100000 Total energy: -1913.626514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1913.626514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1913.626514 (E_RNA) where: Base-Base interactions energy: -1273.980 where: short stacking energy: -541.010 Base-Backbone interact. energy: -1.771 local terms energy: -637.875519 where: bonds (distance) C4'-P energy: -123.473 bonds (distance) P-C4' energy: -121.231 flat angles C4'-P-C4' energy: -137.479 flat angles P-C4'-P energy: -86.987 tors. eta vs tors. theta energy: -168.705 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 420 Temperature: 1.150000 Total energy: -1493.557527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1493.557527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1493.557527 (E_RNA) where: Base-Base interactions energy: -979.636 where: short stacking energy: -445.371 Base-Backbone interact. energy: -2.176 local terms energy: -511.745768 where: bonds (distance) C4'-P energy: -114.702 bonds (distance) P-C4' energy: -116.665 flat angles C4'-P-C4' energy: -118.132 flat angles P-C4'-P energy: -53.178 tors. eta vs tors. theta energy: -109.068 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 420 Temperature: 1.200000 Total energy: -1078.146996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1078.146996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1078.146996 (E_RNA) where: Base-Base interactions energy: -616.301 where: short stacking energy: -294.865 Base-Backbone interact. energy: 4.164 local terms energy: -466.010149 where: bonds (distance) C4'-P energy: -109.394 bonds (distance) P-C4' energy: -113.949 flat angles C4'-P-C4' energy: -124.108 flat angles P-C4'-P energy: -77.313 tors. eta vs tors. theta energy: -41.245 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 420 Temperature: 1.250000 Total energy: -774.837268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -774.837268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -774.837268 (E_RNA) where: Base-Base interactions energy: -354.931 where: short stacking energy: -214.024 Base-Backbone interact. energy: -0.406 local terms energy: -419.500267 where: bonds (distance) C4'-P energy: -115.194 bonds (distance) P-C4' energy: -125.546 flat angles C4'-P-C4' energy: -111.670 flat angles P-C4'-P energy: -63.256 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: 9, replica: 9 ===================================== Write number: 420 Temperature: 1.300000 Total energy: -687.347773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -687.347773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -687.347773 (E_RNA) where: Base-Base interactions energy: -306.030 where: short stacking energy: -172.409 Base-Backbone interact. energy: -0.085 local terms energy: -381.232945 where: bonds (distance) C4'-P energy: -119.307 bonds (distance) P-C4' energy: -100.818 flat angles C4'-P-C4' energy: -103.610 flat angles P-C4'-P energy: -43.564 tors. eta vs tors. theta energy: -13.934 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: 4 ===================================== Write number: 420 Temperature: 1.350000 Total energy: -472.580944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -472.580944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -472.580944 (E_RNA) where: Base-Base interactions energy: -144.954 where: short stacking energy: -82.682 Base-Backbone interact. energy: 1.158 local terms energy: -328.785038 where: bonds (distance) C4'-P energy: -119.653 bonds (distance) P-C4' energy: -121.358 flat angles C4'-P-C4' energy: -95.361 flat angles P-C4'-P energy: -34.025 tors. eta vs tors. theta energy: 41.612 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 421 Temperature: 0.900000 Total energy: -2294.987858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2294.987858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2294.987858 (E_RNA) where: Base-Base interactions energy: -1551.916 where: short stacking energy: -645.314 Base-Backbone interact. energy: -2.349 local terms energy: -740.722943 where: bonds (distance) C4'-P energy: -128.909 bonds (distance) P-C4' energy: -143.647 flat angles C4'-P-C4' energy: -161.216 flat angles P-C4'-P energy: -101.747 tors. eta vs tors. theta energy: -205.204 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 421 Temperature: 0.950000 Total energy: -2172.123837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2172.123837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2172.123837 (E_RNA) where: Base-Base interactions energy: -1466.684 where: short stacking energy: -622.899 Base-Backbone interact. energy: -3.911 local terms energy: -701.529092 where: bonds (distance) C4'-P energy: -125.373 bonds (distance) P-C4' energy: -126.608 flat angles C4'-P-C4' energy: -145.413 flat angles P-C4'-P energy: -104.614 tors. eta vs tors. theta energy: -199.521 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 421 Temperature: 1.000000 Total energy: -2136.609366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2136.609366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2136.609366 (E_RNA) where: Base-Base interactions energy: -1443.255 where: short stacking energy: -608.803 Base-Backbone interact. energy: -0.658 local terms energy: -692.696249 where: bonds (distance) C4'-P energy: -129.150 bonds (distance) P-C4' energy: -136.806 flat angles C4'-P-C4' energy: -148.401 flat angles P-C4'-P energy: -89.010 tors. eta vs tors. theta energy: -189.330 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: 421 Temperature: 1.050000 Total energy: -2057.884518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2057.884518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2057.884518 (E_RNA) where: Base-Base interactions energy: -1401.485 where: short stacking energy: -608.812 Base-Backbone interact. energy: -2.627 local terms energy: -653.773071 where: bonds (distance) C4'-P energy: -119.115 bonds (distance) P-C4' energy: -117.397 flat angles C4'-P-C4' energy: -135.242 flat angles P-C4'-P energy: -84.974 tors. eta vs tors. theta energy: -197.045 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 421 Temperature: 1.100000 Total energy: -1901.813109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1901.813109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1901.813109 (E_RNA) where: Base-Base interactions energy: -1278.913 where: short stacking energy: -555.230 Base-Backbone interact. energy: -0.825 local terms energy: -622.075122 where: bonds (distance) C4'-P energy: -115.091 bonds (distance) P-C4' energy: -122.501 flat angles C4'-P-C4' energy: -126.205 flat angles P-C4'-P energy: -96.119 tors. eta vs tors. theta energy: -162.158 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 421 Temperature: 1.150000 Total energy: -1520.324079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1520.324079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1520.324079 (E_RNA) where: Base-Base interactions energy: -983.929 where: short stacking energy: -450.872 Base-Backbone interact. energy: -0.859 local terms energy: -535.535664 where: bonds (distance) C4'-P energy: -122.045 bonds (distance) P-C4' energy: -97.931 flat angles C4'-P-C4' energy: -123.330 flat angles P-C4'-P energy: -55.947 tors. eta vs tors. theta energy: -136.283 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: 1 ===================================== Write number: 421 Temperature: 1.200000 Total energy: -1033.809228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1033.809228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1033.809228 (E_RNA) where: Base-Base interactions energy: -601.066 where: short stacking energy: -322.152 Base-Backbone interact. energy: -0.962 local terms energy: -431.781667 where: bonds (distance) C4'-P energy: -105.212 bonds (distance) P-C4' energy: -114.584 flat angles C4'-P-C4' energy: -83.523 flat angles P-C4'-P energy: -69.362 tors. eta vs tors. theta energy: -59.100 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: 3 ===================================== Write number: 421 Temperature: 1.250000 Total energy: -811.419524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -811.419524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -811.419524 (E_RNA) where: Base-Base interactions energy: -373.648 where: short stacking energy: -200.355 Base-Backbone interact. energy: -1.886 local terms energy: -435.884868 where: bonds (distance) C4'-P energy: -107.540 bonds (distance) P-C4' energy: -116.870 flat angles C4'-P-C4' energy: -110.245 flat angles P-C4'-P energy: -81.490 tors. eta vs tors. theta energy: -19.740 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: 9 ===================================== Write number: 421 Temperature: 1.300000 Total energy: -685.931318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -685.931318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -685.931318 (E_RNA) where: Base-Base interactions energy: -321.744 where: short stacking energy: -216.777 Base-Backbone interact. energy: -2.043 local terms energy: -362.144042 where: bonds (distance) C4'-P energy: -84.565 bonds (distance) P-C4' energy: -101.219 flat angles C4'-P-C4' energy: -109.977 flat angles P-C4'-P energy: -61.088 tors. eta vs tors. theta energy: -5.296 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: 4 ===================================== Write number: 421 Temperature: 1.350000 Total energy: -489.815515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -489.815515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -489.815515 (E_RNA) where: Base-Base interactions energy: -180.646 where: short stacking energy: -135.219 Base-Backbone interact. energy: 3.288 local terms energy: -312.456777 where: bonds (distance) C4'-P energy: -87.457 bonds (distance) P-C4' energy: -114.083 flat angles C4'-P-C4' energy: -84.398 flat angles P-C4'-P energy: -51.256 tors. eta vs tors. theta energy: 24.737 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: 8 ===================================== Write number: 422 Temperature: 0.900000 Total energy: -2310.902963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2310.902963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2310.902963 (E_RNA) where: Base-Base interactions energy: -1575.203 where: short stacking energy: -672.782 Base-Backbone interact. energy: -2.983 local terms energy: -732.717396 where: bonds (distance) C4'-P energy: -133.530 bonds (distance) P-C4' energy: -137.149 flat angles C4'-P-C4' energy: -155.325 flat angles P-C4'-P energy: -92.984 tors. eta vs tors. theta energy: -213.729 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: 7 ===================================== Write number: 422 Temperature: 0.950000 Total energy: -2166.293239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2166.293239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2166.293239 (E_RNA) where: Base-Base interactions energy: -1420.347 where: short stacking energy: -623.852 Base-Backbone interact. energy: -2.953 local terms energy: -742.993643 where: bonds (distance) C4'-P energy: -135.375 bonds (distance) P-C4' energy: -134.660 flat angles C4'-P-C4' energy: -157.440 flat angles P-C4'-P energy: -101.004 tors. eta vs tors. theta energy: -214.515 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 422 Temperature: 1.000000 Total energy: -2125.392816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2125.392816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2125.392816 (E_RNA) where: Base-Base interactions energy: -1440.732 where: short stacking energy: -609.826 Base-Backbone interact. energy: -2.742 local terms energy: -681.919278 where: bonds (distance) C4'-P energy: -125.775 bonds (distance) P-C4' energy: -113.602 flat angles C4'-P-C4' energy: -144.437 flat angles P-C4'-P energy: -107.135 tors. eta vs tors. theta energy: -190.971 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 422 Temperature: 1.050000 Total energy: -2065.931238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2065.931238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2065.931238 (E_RNA) where: Base-Base interactions energy: -1418.914 where: short stacking energy: -575.580 Base-Backbone interact. energy: -1.324 local terms energy: -645.693632 where: bonds (distance) C4'-P energy: -116.121 bonds (distance) P-C4' energy: -113.443 flat angles C4'-P-C4' energy: -128.921 flat angles P-C4'-P energy: -95.842 tors. eta vs tors. theta energy: -191.367 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: 5, replica: 5 ===================================== Write number: 422 Temperature: 1.100000 Total energy: -1833.557525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1833.557525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1833.557525 (E_RNA) where: Base-Base interactions energy: -1229.533 where: short stacking energy: -495.888 Base-Backbone interact. energy: -4.131 local terms energy: -599.893208 where: bonds (distance) C4'-P energy: -115.778 bonds (distance) P-C4' energy: -116.215 flat angles C4'-P-C4' energy: -135.787 flat angles P-C4'-P energy: -81.054 tors. eta vs tors. theta energy: -151.059 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: 6, replica: 10 ===================================== Write number: 422 Temperature: 1.150000 Total energy: -1533.301628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1533.301628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1533.301628 (E_RNA) where: Base-Base interactions energy: -985.427 where: short stacking energy: -440.429 Base-Backbone interact. energy: -0.670 local terms energy: -547.204369 where: bonds (distance) C4'-P energy: -108.875 bonds (distance) P-C4' energy: -98.276 flat angles C4'-P-C4' energy: -143.208 flat angles P-C4'-P energy: -72.409 tors. eta vs tors. theta energy: -124.437 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: 422 Temperature: 1.200000 Total energy: -1104.846096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1104.846096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1104.846096 (E_RNA) where: Base-Base interactions energy: -615.905 where: short stacking energy: -292.164 Base-Backbone interact. energy: -3.722 local terms energy: -485.219015 where: bonds (distance) C4'-P energy: -109.282 bonds (distance) P-C4' energy: -126.731 flat angles C4'-P-C4' energy: -121.620 flat angles P-C4'-P energy: -86.159 tors. eta vs tors. theta energy: -41.427 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: 3 ===================================== Write number: 422 Temperature: 1.250000 Total energy: -786.013797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -786.013797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -786.013797 (E_RNA) where: Base-Base interactions energy: -378.452 where: short stacking energy: -204.343 Base-Backbone interact. energy: -1.508 local terms energy: -406.054259 where: bonds (distance) C4'-P energy: -103.959 bonds (distance) P-C4' energy: -135.058 flat angles C4'-P-C4' energy: -96.255 flat angles P-C4'-P energy: -66.095 tors. eta vs tors. theta energy: -4.687 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: 9 ===================================== Write number: 422 Temperature: 1.300000 Total energy: -666.795575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -666.795575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -666.795575 (E_RNA) where: Base-Base interactions energy: -296.441 where: short stacking energy: -168.135 Base-Backbone interact. energy: -0.010 local terms energy: -371.352133 where: bonds (distance) C4'-P energy: -110.973 bonds (distance) P-C4' energy: -108.942 flat angles C4'-P-C4' energy: -98.279 flat angles P-C4'-P energy: -66.845 tors. eta vs tors. theta energy: 13.686 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 1.007 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 422 Temperature: 1.350000 Total energy: -484.773638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -484.773638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -484.773638 (E_RNA) where: Base-Base interactions energy: -140.600 where: short stacking energy: -122.856 Base-Backbone interact. energy: -0.041 local terms energy: -344.132547 where: bonds (distance) C4'-P energy: -108.475 bonds (distance) P-C4' energy: -122.483 flat angles C4'-P-C4' energy: -87.326 flat angles P-C4'-P energy: -47.607 tors. eta vs tors. theta energy: 21.758 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: 8 ===================================== Write number: 423 Temperature: 0.900000 Total energy: -2306.953581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2306.953581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2306.953581 (E_RNA) where: Base-Base interactions energy: -1571.003 where: short stacking energy: -639.398 Base-Backbone interact. energy: -0.298 local terms energy: -735.652924 where: bonds (distance) C4'-P energy: -113.945 bonds (distance) P-C4' energy: -149.758 flat angles C4'-P-C4' energy: -155.367 flat angles P-C4'-P energy: -105.587 tors. eta vs tors. theta energy: -210.996 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: 6 ===================================== Write number: 423 Temperature: 0.950000 Total energy: -2149.684908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2149.684908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2149.684908 (E_RNA) where: Base-Base interactions energy: -1449.034 where: short stacking energy: -634.766 Base-Backbone interact. energy: 0.500 local terms energy: -701.150611 where: bonds (distance) C4'-P energy: -128.071 bonds (distance) P-C4' energy: -126.957 flat angles C4'-P-C4' energy: -153.606 flat angles P-C4'-P energy: -93.570 tors. eta vs tors. theta energy: -198.946 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 423 Temperature: 1.000000 Total energy: -2110.008661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2110.008661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2110.008661 (E_RNA) where: Base-Base interactions energy: -1404.850 where: short stacking energy: -579.168 Base-Backbone interact. energy: -3.765 local terms energy: -701.393783 where: bonds (distance) C4'-P energy: -112.413 bonds (distance) P-C4' energy: -145.331 flat angles C4'-P-C4' energy: -146.732 flat angles P-C4'-P energy: -94.814 tors. eta vs tors. theta energy: -202.104 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: 2 ===================================== Write number: 423 Temperature: 1.050000 Total energy: -2100.527519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2100.527519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2100.527519 (E_RNA) where: Base-Base interactions energy: -1459.192 where: short stacking energy: -581.935 Base-Backbone interact. energy: -2.145 local terms energy: -639.190151 where: bonds (distance) C4'-P energy: -99.760 bonds (distance) P-C4' energy: -134.237 flat angles C4'-P-C4' energy: -131.733 flat angles P-C4'-P energy: -86.930 tors. eta vs tors. theta energy: -186.530 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: 5, replica: 5 ===================================== Write number: 423 Temperature: 1.100000 Total energy: -1848.864107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1848.864107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1848.864107 (E_RNA) where: Base-Base interactions energy: -1254.908 where: short stacking energy: -512.192 Base-Backbone interact. energy: -1.885 local terms energy: -592.071242 where: bonds (distance) C4'-P energy: -110.220 bonds (distance) P-C4' energy: -113.364 flat angles C4'-P-C4' energy: -131.555 flat angles P-C4'-P energy: -79.411 tors. eta vs tors. theta energy: -157.521 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: 10 ===================================== Write number: 423 Temperature: 1.150000 Total energy: -1482.066458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1482.066458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1482.066458 (E_RNA) where: Base-Base interactions energy: -923.678 where: short stacking energy: -431.539 Base-Backbone interact. energy: 1.515 local terms energy: -559.902868 where: bonds (distance) C4'-P energy: -110.946 bonds (distance) P-C4' energy: -120.017 flat angles C4'-P-C4' energy: -123.112 flat angles P-C4'-P energy: -85.824 tors. eta vs tors. theta energy: -120.004 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 423 Temperature: 1.200000 Total energy: -1125.379093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1125.379093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1125.379093 (E_RNA) where: Base-Base interactions energy: -652.343 where: short stacking energy: -317.656 Base-Backbone interact. energy: 3.298 local terms energy: -476.334181 where: bonds (distance) C4'-P energy: -118.048 bonds (distance) P-C4' energy: -111.084 flat angles C4'-P-C4' energy: -122.407 flat angles P-C4'-P energy: -69.193 tors. eta vs tors. theta energy: -55.602 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 423 Temperature: 1.250000 Total energy: -787.310266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -787.310266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -787.310266 (E_RNA) where: Base-Base interactions energy: -414.216 where: short stacking energy: -197.290 Base-Backbone interact. energy: 4.025 local terms energy: -377.118919 where: bonds (distance) C4'-P energy: -104.417 bonds (distance) P-C4' energy: -109.439 flat angles C4'-P-C4' energy: -101.633 flat angles P-C4'-P energy: -58.947 tors. eta vs tors. theta energy: -2.682 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 423 Temperature: 1.300000 Total energy: -685.253857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -685.253857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -685.253857 (E_RNA) where: Base-Base interactions energy: -298.900 where: short stacking energy: -168.427 Base-Backbone interact. energy: -0.870 local terms energy: -385.483311 where: bonds (distance) C4'-P energy: -117.593 bonds (distance) P-C4' energy: -104.120 flat angles C4'-P-C4' energy: -102.819 flat angles P-C4'-P energy: -73.994 tors. eta vs tors. theta energy: 13.042 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 423 Temperature: 1.350000 Total energy: -489.282776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -489.282776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -489.282776 (E_RNA) where: Base-Base interactions energy: -178.810 where: short stacking energy: -145.089 Base-Backbone interact. energy: 7.054 local terms energy: -317.526873 where: bonds (distance) C4'-P energy: -116.677 bonds (distance) P-C4' energy: -83.667 flat angles C4'-P-C4' energy: -92.390 flat angles P-C4'-P energy: -51.889 tors. eta vs tors. theta energy: 27.096 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 424 Temperature: 0.900000 Total energy: -2291.775415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2291.775415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2291.775415 (E_RNA) where: Base-Base interactions energy: -1579.633 where: short stacking energy: -667.118 Base-Backbone interact. energy: 0.683 local terms energy: -712.825271 where: bonds (distance) C4'-P energy: -140.350 bonds (distance) P-C4' energy: -122.700 flat angles C4'-P-C4' energy: -145.170 flat angles P-C4'-P energy: -96.156 tors. eta vs tors. theta energy: -208.450 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 424 Temperature: 0.950000 Total energy: -2182.303388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2182.303388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2182.303388 (E_RNA) where: Base-Base interactions energy: -1483.422 where: short stacking energy: -645.297 Base-Backbone interact. energy: -2.650 local terms energy: -696.231973 where: bonds (distance) C4'-P energy: -112.687 bonds (distance) P-C4' energy: -125.350 flat angles C4'-P-C4' energy: -147.372 flat angles P-C4'-P energy: -100.913 tors. eta vs tors. theta energy: -209.911 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: 7 ===================================== Write number: 424 Temperature: 1.000000 Total energy: -2091.428937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2091.428937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2091.428937 (E_RNA) where: Base-Base interactions energy: -1400.970 where: short stacking energy: -595.170 Base-Backbone interact. energy: -0.568 local terms energy: -689.891485 where: bonds (distance) C4'-P energy: -119.131 bonds (distance) P-C4' energy: -129.513 flat angles C4'-P-C4' energy: -143.433 flat angles P-C4'-P energy: -106.281 tors. eta vs tors. theta energy: -191.534 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 424 Temperature: 1.050000 Total energy: -2092.953949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2092.953949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2092.953949 (E_RNA) where: Base-Base interactions energy: -1431.308 where: short stacking energy: -561.931 Base-Backbone interact. energy: -2.042 local terms energy: -659.603851 where: bonds (distance) C4'-P energy: -117.125 bonds (distance) P-C4' energy: -132.609 flat angles C4'-P-C4' energy: -143.273 flat angles P-C4'-P energy: -88.962 tors. eta vs tors. theta energy: -177.635 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: 5 ===================================== Write number: 424 Temperature: 1.100000 Total energy: -1909.036915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1909.036915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1909.036915 (E_RNA) where: Base-Base interactions energy: -1275.668 where: short stacking energy: -544.441 Base-Backbone interact. energy: -5.109 local terms energy: -628.259570 where: bonds (distance) C4'-P energy: -122.656 bonds (distance) P-C4' energy: -124.707 flat angles C4'-P-C4' energy: -122.189 flat angles P-C4'-P energy: -92.156 tors. eta vs tors. theta energy: -166.552 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: 10 ===================================== Write number: 424 Temperature: 1.150000 Total energy: -1566.635836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1566.635836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1566.635836 (E_RNA) where: Base-Base interactions energy: -991.651 where: short stacking energy: -434.469 Base-Backbone interact. energy: -0.348 local terms energy: -574.637395 where: bonds (distance) C4'-P energy: -105.966 bonds (distance) P-C4' energy: -118.243 flat angles C4'-P-C4' energy: -139.028 flat angles P-C4'-P energy: -79.856 tors. eta vs tors. theta energy: -131.546 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: 1 ===================================== Write number: 424 Temperature: 1.200000 Total energy: -1029.764946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1029.764946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1029.764946 (E_RNA) where: Base-Base interactions energy: -598.960 where: short stacking energy: -273.685 Base-Backbone interact. energy: 2.037 local terms energy: -432.842100 where: bonds (distance) C4'-P energy: -119.965 bonds (distance) P-C4' energy: -113.053 flat angles C4'-P-C4' energy: -117.629 flat angles P-C4'-P energy: -62.928 tors. eta vs tors. theta energy: -19.268 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 424 Temperature: 1.250000 Total energy: -803.565370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -803.565370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -803.565370 (E_RNA) where: Base-Base interactions energy: -421.110 where: short stacking energy: -228.106 Base-Backbone interact. energy: -1.135 local terms energy: -381.320983 where: bonds (distance) C4'-P energy: -93.454 bonds (distance) P-C4' energy: -114.513 flat angles C4'-P-C4' energy: -113.362 flat angles P-C4'-P energy: -49.677 tors. eta vs tors. theta energy: -10.315 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 424 Temperature: 1.300000 Total energy: -640.378895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -640.378895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -640.378895 (E_RNA) where: Base-Base interactions energy: -266.340 where: short stacking energy: -167.848 Base-Backbone interact. energy: -0.985 local terms energy: -373.054242 where: bonds (distance) C4'-P energy: -104.215 bonds (distance) P-C4' energy: -114.247 flat angles C4'-P-C4' energy: -103.332 flat angles P-C4'-P energy: -58.202 tors. eta vs tors. theta energy: 6.942 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: 424 Temperature: 1.350000 Total energy: -509.866010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -509.866010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -509.866010 (E_RNA) where: Base-Base interactions energy: -167.637 where: short stacking energy: -143.168 Base-Backbone interact. energy: 1.373 local terms energy: -343.601590 where: bonds (distance) C4'-P energy: -102.355 bonds (distance) P-C4' energy: -130.088 flat angles C4'-P-C4' energy: -84.496 flat angles P-C4'-P energy: -52.446 tors. eta vs tors. theta energy: 25.784 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 425 Temperature: 0.900000 Total energy: -2285.279208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2285.279208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2285.279208 (E_RNA) where: Base-Base interactions energy: -1527.983 where: short stacking energy: -636.559 Base-Backbone interact. energy: -1.497 local terms energy: -755.798909 where: bonds (distance) C4'-P energy: -136.852 bonds (distance) P-C4' energy: -145.323 flat angles C4'-P-C4' energy: -151.691 flat angles P-C4'-P energy: -111.257 tors. eta vs tors. theta energy: -210.676 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: 6 ===================================== Write number: 425 Temperature: 0.950000 Total energy: -2197.450691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2197.450691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2197.450691 (E_RNA) where: Base-Base interactions energy: -1499.900 where: short stacking energy: -643.774 Base-Backbone interact. energy: 0.317 local terms energy: -697.867842 where: bonds (distance) C4'-P energy: -117.514 bonds (distance) P-C4' energy: -127.822 flat angles C4'-P-C4' energy: -155.040 flat angles P-C4'-P energy: -95.160 tors. eta vs tors. theta energy: -202.331 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: 7 ===================================== Write number: 425 Temperature: 1.000000 Total energy: -2082.654873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2082.654873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2082.654873 (E_RNA) where: Base-Base interactions energy: -1407.922 where: short stacking energy: -592.063 Base-Backbone interact. energy: 0.522 local terms energy: -675.255688 where: bonds (distance) C4'-P energy: -128.989 bonds (distance) P-C4' energy: -129.209 flat angles C4'-P-C4' energy: -148.250 flat angles P-C4'-P energy: -83.215 tors. eta vs tors. theta energy: -185.593 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 425 Temperature: 1.050000 Total energy: -2106.108265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2106.108265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2106.108265 (E_RNA) where: Base-Base interactions energy: -1407.167 where: short stacking energy: -599.439 Base-Backbone interact. energy: 0.051 local terms energy: -698.992015 where: bonds (distance) C4'-P energy: -132.741 bonds (distance) P-C4' energy: -130.347 flat angles C4'-P-C4' energy: -137.100 flat angles P-C4'-P energy: -92.974 tors. eta vs tors. theta energy: -205.830 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 425 Temperature: 1.100000 Total energy: -1903.444962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1903.444962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1903.444962 (E_RNA) where: Base-Base interactions energy: -1299.242 where: short stacking energy: -566.932 Base-Backbone interact. energy: -2.713 local terms energy: -601.489740 where: bonds (distance) C4'-P energy: -111.467 bonds (distance) P-C4' energy: -122.421 flat angles C4'-P-C4' energy: -113.547 flat angles P-C4'-P energy: -78.626 tors. eta vs tors. theta energy: -175.428 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: 6, replica: 10 ===================================== Write number: 425 Temperature: 1.150000 Total energy: -1593.992082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1593.992082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1593.992082 (E_RNA) where: Base-Base interactions energy: -1034.126 where: short stacking energy: -468.483 Base-Backbone interact. energy: -1.960 local terms energy: -557.905502 where: bonds (distance) C4'-P energy: -128.054 bonds (distance) P-C4' energy: -103.802 flat angles C4'-P-C4' energy: -126.821 flat angles P-C4'-P energy: -77.674 tors. eta vs tors. theta energy: -121.555 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 425 Temperature: 1.200000 Total energy: -1089.675071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1089.675071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1089.675071 (E_RNA) where: Base-Base interactions energy: -599.581 where: short stacking energy: -297.666 Base-Backbone interact. energy: 2.436 local terms energy: -492.529903 where: bonds (distance) C4'-P energy: -108.534 bonds (distance) P-C4' energy: -122.751 flat angles C4'-P-C4' energy: -121.515 flat angles P-C4'-P energy: -72.826 tors. eta vs tors. theta energy: -66.903 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 425 Temperature: 1.250000 Total energy: -661.880938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -661.880938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -661.880938 (E_RNA) where: Base-Base interactions energy: -302.389 where: short stacking energy: -199.288 Base-Backbone interact. energy: 0.259 local terms energy: -359.750708 where: bonds (distance) C4'-P energy: -93.210 bonds (distance) P-C4' energy: -118.887 flat angles C4'-P-C4' energy: -94.887 flat angles P-C4'-P energy: -49.339 tors. eta vs tors. theta energy: -3.428 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 425 Temperature: 1.300000 Total energy: -744.525694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -744.525694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -744.525694 (E_RNA) where: Base-Base interactions energy: -396.729 where: short stacking energy: -196.588 Base-Backbone interact. energy: 0.095 local terms energy: -347.891425 where: bonds (distance) C4'-P energy: -98.047 bonds (distance) P-C4' energy: -88.328 flat angles C4'-P-C4' energy: -94.530 flat angles P-C4'-P energy: -60.578 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: 10, replica: 4 ===================================== Write number: 425 Temperature: 1.350000 Total energy: -480.315662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -480.315662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -480.315662 (E_RNA) where: Base-Base interactions energy: -143.202 where: short stacking energy: -117.683 Base-Backbone interact. energy: -1.517 local terms energy: -335.597033 where: bonds (distance) C4'-P energy: -116.101 bonds (distance) P-C4' energy: -94.414 flat angles C4'-P-C4' energy: -82.832 flat angles P-C4'-P energy: -48.087 tors. eta vs tors. theta energy: 5.837 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 426 Temperature: 0.900000 Total energy: -2309.115650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2309.115650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2309.115650 (E_RNA) where: Base-Base interactions energy: -1554.168 where: short stacking energy: -670.502 Base-Backbone interact. energy: -2.446 local terms energy: -752.501747 where: bonds (distance) C4'-P energy: -135.827 bonds (distance) P-C4' energy: -135.217 flat angles C4'-P-C4' energy: -156.545 flat angles P-C4'-P energy: -109.106 tors. eta vs tors. theta energy: -215.807 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: 2, replica: 6 ===================================== Write number: 426 Temperature: 0.950000 Total energy: -2196.082519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2196.082519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2196.082519 (E_RNA) where: Base-Base interactions energy: -1475.696 where: short stacking energy: -660.472 Base-Backbone interact. energy: 0.050 local terms energy: -720.435658 where: bonds (distance) C4'-P energy: -140.537 bonds (distance) P-C4' energy: -129.695 flat angles C4'-P-C4' energy: -144.054 flat angles P-C4'-P energy: -96.549 tors. eta vs tors. theta energy: -209.600 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 426 Temperature: 1.000000 Total energy: -2136.598838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2136.598838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2136.598838 (E_RNA) where: Base-Base interactions energy: -1455.825 where: short stacking energy: -627.443 Base-Backbone interact. energy: -4.305 local terms energy: -676.468436 where: bonds (distance) C4'-P energy: -136.186 bonds (distance) P-C4' energy: -127.313 flat angles C4'-P-C4' energy: -126.692 flat angles P-C4'-P energy: -86.459 tors. eta vs tors. theta energy: -199.818 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 426 Temperature: 1.050000 Total energy: -2035.656676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2035.656676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2035.656676 (E_RNA) where: Base-Base interactions energy: -1384.363 where: short stacking energy: -580.493 Base-Backbone interact. energy: -1.543 local terms energy: -649.750967 where: bonds (distance) C4'-P energy: -105.135 bonds (distance) P-C4' energy: -117.399 flat angles C4'-P-C4' energy: -141.779 flat angles P-C4'-P energy: -84.748 tors. eta vs tors. theta energy: -200.691 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 426 Temperature: 1.100000 Total energy: -1870.773698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1870.773698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1870.773698 (E_RNA) where: Base-Base interactions energy: -1274.433 where: short stacking energy: -516.485 Base-Backbone interact. energy: -3.482 local terms energy: -592.858753 where: bonds (distance) C4'-P energy: -101.339 bonds (distance) P-C4' energy: -119.240 flat angles C4'-P-C4' energy: -140.026 flat angles P-C4'-P energy: -73.758 tors. eta vs tors. theta energy: -158.496 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: 10 ===================================== Write number: 426 Temperature: 1.150000 Total energy: -1579.362710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1579.362710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1579.362710 (E_RNA) where: Base-Base interactions energy: -1017.446 where: short stacking energy: -449.172 Base-Backbone interact. energy: -0.733 local terms energy: -561.183143 where: bonds (distance) C4'-P energy: -107.285 bonds (distance) P-C4' energy: -125.628 flat angles C4'-P-C4' energy: -125.676 flat angles P-C4'-P energy: -71.790 tors. eta vs tors. theta energy: -130.804 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: 1 ===================================== Write number: 426 Temperature: 1.200000 Total energy: -1097.648114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1097.648114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1097.648114 (E_RNA) where: Base-Base interactions energy: -632.995 where: short stacking energy: -313.543 Base-Backbone interact. energy: 0.002 local terms energy: -464.655464 where: bonds (distance) C4'-P energy: -111.906 bonds (distance) P-C4' energy: -114.117 flat angles C4'-P-C4' energy: -107.212 flat angles P-C4'-P energy: -70.452 tors. eta vs tors. theta energy: -60.968 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: 9 ===================================== Write number: 426 Temperature: 1.250000 Total energy: -699.880826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -699.880826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -699.880826 (E_RNA) where: Base-Base interactions energy: -299.460 where: short stacking energy: -169.923 Base-Backbone interact. energy: -2.994 local terms energy: -397.427287 where: bonds (distance) C4'-P energy: -118.848 bonds (distance) P-C4' energy: -101.254 flat angles C4'-P-C4' energy: -107.550 flat angles P-C4'-P energy: -61.829 tors. eta vs tors. theta energy: -7.947 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 426 Temperature: 1.300000 Total energy: -718.262664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -718.262664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -718.262664 (E_RNA) where: Base-Base interactions energy: -343.897 where: short stacking energy: -197.150 Base-Backbone interact. energy: -0.774 local terms energy: -373.591718 where: bonds (distance) C4'-P energy: -108.977 bonds (distance) P-C4' energy: -112.981 flat angles C4'-P-C4' energy: -87.837 flat angles P-C4'-P energy: -57.587 tors. eta vs tors. theta energy: -6.210 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: 10, replica: 4 ===================================== Write number: 426 Temperature: 1.350000 Total energy: -495.847583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -495.847583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -495.847583 (E_RNA) where: Base-Base interactions energy: -180.453 where: short stacking energy: -135.272 Base-Backbone interact. energy: 3.900 local terms energy: -319.294606 where: bonds (distance) C4'-P energy: -102.495 bonds (distance) P-C4' energy: -103.470 flat angles C4'-P-C4' energy: -98.233 flat angles P-C4'-P energy: -47.831 tors. eta vs tors. theta energy: 32.735 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 427 Temperature: 0.900000 Total energy: -2272.050150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2272.050150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2272.050150 (E_RNA) where: Base-Base interactions energy: -1551.498 where: short stacking energy: -640.315 Base-Backbone interact. energy: -3.912 local terms energy: -716.639884 where: bonds (distance) C4'-P energy: -129.993 bonds (distance) P-C4' energy: -126.638 flat angles C4'-P-C4' energy: -144.101 flat angles P-C4'-P energy: -106.808 tors. eta vs tors. theta energy: -209.100 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 427 Temperature: 0.950000 Total energy: -2179.864230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2179.864230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2179.864230 (E_RNA) where: Base-Base interactions energy: -1456.991 where: short stacking energy: -629.112 Base-Backbone interact. energy: -1.578 local terms energy: -721.295203 where: bonds (distance) C4'-P energy: -129.557 bonds (distance) P-C4' energy: -137.536 flat angles C4'-P-C4' energy: -149.085 flat angles P-C4'-P energy: -114.341 tors. eta vs tors. theta energy: -190.777 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 427 Temperature: 1.000000 Total energy: -2141.331646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2141.331646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2141.331646 (E_RNA) where: Base-Base interactions energy: -1458.643 where: short stacking energy: -588.593 Base-Backbone interact. energy: -1.895 local terms energy: -680.793584 where: bonds (distance) C4'-P energy: -127.317 bonds (distance) P-C4' energy: -120.621 flat angles C4'-P-C4' energy: -147.003 flat angles P-C4'-P energy: -94.117 tors. eta vs tors. theta energy: -191.737 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 427 Temperature: 1.050000 Total energy: -2069.423591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2069.423591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2069.423591 (E_RNA) where: Base-Base interactions energy: -1409.117 where: short stacking energy: -604.446 Base-Backbone interact. energy: -0.847 local terms energy: -659.459902 where: bonds (distance) C4'-P energy: -125.486 bonds (distance) P-C4' energy: -124.812 flat angles C4'-P-C4' energy: -151.255 flat angles P-C4'-P energy: -75.953 tors. eta vs tors. theta energy: -181.954 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 427 Temperature: 1.100000 Total energy: -1950.483272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1950.483272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1950.483272 (E_RNA) where: Base-Base interactions energy: -1293.567 where: short stacking energy: -540.903 Base-Backbone interact. energy: -0.991 local terms energy: -655.924812 where: bonds (distance) C4'-P energy: -131.018 bonds (distance) P-C4' energy: -124.988 flat angles C4'-P-C4' energy: -136.634 flat angles P-C4'-P energy: -96.780 tors. eta vs tors. theta energy: -166.505 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 427 Temperature: 1.150000 Total energy: -1537.026281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1537.026281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1537.026281 (E_RNA) where: Base-Base interactions energy: -1001.227 where: short stacking energy: -423.273 Base-Backbone interact. energy: -1.043 local terms energy: -535.022113 where: bonds (distance) C4'-P energy: -127.775 bonds (distance) P-C4' energy: -120.879 flat angles C4'-P-C4' energy: -120.676 flat angles P-C4'-P energy: -60.035 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: 0.266 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 427 Temperature: 1.200000 Total energy: -1049.878924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1049.878924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1049.878924 (E_RNA) where: Base-Base interactions energy: -645.614 where: short stacking energy: -314.529 Base-Backbone interact. energy: -2.064 local terms energy: -402.201527 where: bonds (distance) C4'-P energy: -97.307 bonds (distance) P-C4' energy: -91.733 flat angles C4'-P-C4' energy: -103.887 flat angles P-C4'-P energy: -61.775 tors. eta vs tors. theta energy: -47.499 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 427 Temperature: 1.250000 Total energy: -702.865949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -702.865949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -702.865949 (E_RNA) where: Base-Base interactions energy: -348.279 where: short stacking energy: -214.233 Base-Backbone interact. energy: -3.422 local terms energy: -351.165187 where: bonds (distance) C4'-P energy: -92.764 bonds (distance) P-C4' energy: -112.342 flat angles C4'-P-C4' energy: -95.836 flat angles P-C4'-P energy: -48.711 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: 9, replica: 3 ===================================== Write number: 427 Temperature: 1.300000 Total energy: -714.744344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -714.744344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -714.744344 (E_RNA) where: Base-Base interactions energy: -356.541 where: short stacking energy: -182.074 Base-Backbone interact. energy: 8.057 local terms energy: -366.260267 where: bonds (distance) C4'-P energy: -93.498 bonds (distance) P-C4' energy: -116.592 flat angles C4'-P-C4' energy: -92.464 flat angles P-C4'-P energy: -70.011 tors. eta vs tors. theta energy: 6.306 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: 4 ===================================== Write number: 427 Temperature: 1.350000 Total energy: -489.051260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -489.051260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -489.051260 (E_RNA) where: Base-Base interactions energy: -156.078 where: short stacking energy: -115.315 Base-Backbone interact. energy: -1.295 local terms energy: -331.678457 where: bonds (distance) C4'-P energy: -96.934 bonds (distance) P-C4' energy: -125.123 flat angles C4'-P-C4' energy: -89.705 flat angles P-C4'-P energy: -64.018 tors. eta vs tors. theta energy: 44.101 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: 1, replica: 8 ===================================== Write number: 428 Temperature: 0.900000 Total energy: -2287.629533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2287.629533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2287.629533 (E_RNA) where: Base-Base interactions energy: -1558.025 where: short stacking energy: -646.907 Base-Backbone interact. energy: -0.030 local terms energy: -729.575168 where: bonds (distance) C4'-P energy: -137.151 bonds (distance) P-C4' energy: -134.145 flat angles C4'-P-C4' energy: -146.982 flat angles P-C4'-P energy: -106.756 tors. eta vs tors. theta energy: -204.541 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 428 Temperature: 0.950000 Total energy: -2170.804533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2170.804533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2170.804533 (E_RNA) where: Base-Base interactions energy: -1463.883 where: short stacking energy: -640.512 Base-Backbone interact. energy: -2.087 local terms energy: -704.833895 where: bonds (distance) C4'-P energy: -121.718 bonds (distance) P-C4' energy: -128.560 flat angles C4'-P-C4' energy: -151.869 flat angles P-C4'-P energy: -97.203 tors. eta vs tors. theta energy: -205.483 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 428 Temperature: 1.000000 Total energy: -2139.632636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2139.632636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2139.632636 (E_RNA) where: Base-Base interactions energy: -1460.596 where: short stacking energy: -608.832 Base-Backbone interact. energy: -0.491 local terms energy: -678.545799 where: bonds (distance) C4'-P energy: -126.785 bonds (distance) P-C4' energy: -125.010 flat angles C4'-P-C4' energy: -144.098 flat angles P-C4'-P energy: -85.308 tors. eta vs tors. theta energy: -197.345 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: 7 ===================================== Write number: 428 Temperature: 1.050000 Total energy: -2021.339596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2021.339596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2021.339596 (E_RNA) where: Base-Base interactions energy: -1374.239 where: short stacking energy: -605.675 Base-Backbone interact. energy: -2.999 local terms energy: -644.101453 where: bonds (distance) C4'-P energy: -120.902 bonds (distance) P-C4' energy: -121.992 flat angles C4'-P-C4' energy: -143.859 flat angles P-C4'-P energy: -77.505 tors. eta vs tors. theta energy: -179.844 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 428 Temperature: 1.100000 Total energy: -1930.619477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1930.619477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1930.619477 (E_RNA) where: Base-Base interactions energy: -1291.257 where: short stacking energy: -555.749 Base-Backbone interact. energy: -3.613 local terms energy: -635.748857 where: bonds (distance) C4'-P energy: -120.802 bonds (distance) P-C4' energy: -120.077 flat angles C4'-P-C4' energy: -135.395 flat angles P-C4'-P energy: -86.573 tors. eta vs tors. theta energy: -172.902 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 428 Temperature: 1.150000 Total energy: -1593.743114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1593.743114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1593.743114 (E_RNA) where: Base-Base interactions energy: -1023.886 where: short stacking energy: -444.607 Base-Backbone interact. energy: -1.466 local terms energy: -568.391521 where: bonds (distance) C4'-P energy: -112.274 bonds (distance) P-C4' energy: -119.600 flat angles C4'-P-C4' energy: -119.969 flat angles P-C4'-P energy: -92.146 tors. eta vs tors. theta energy: -124.402 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 428 Temperature: 1.200000 Total energy: -1065.573201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1065.573201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1065.573201 (E_RNA) where: Base-Base interactions energy: -583.817 where: short stacking energy: -281.719 Base-Backbone interact. energy: -2.821 local terms energy: -478.935301 where: bonds (distance) C4'-P energy: -117.668 bonds (distance) P-C4' energy: -116.350 flat angles C4'-P-C4' energy: -116.964 flat angles P-C4'-P energy: -80.337 tors. eta vs tors. theta energy: -47.616 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 428 Temperature: 1.250000 Total energy: -698.406959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -698.406959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -698.406959 (E_RNA) where: Base-Base interactions energy: -313.642 where: short stacking energy: -195.892 Base-Backbone interact. energy: -1.809 local terms energy: -382.955695 where: bonds (distance) C4'-P energy: -106.659 bonds (distance) P-C4' energy: -114.621 flat angles C4'-P-C4' energy: -105.759 flat angles P-C4'-P energy: -48.964 tors. eta vs tors. theta energy: -6.953 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: 9, replica: 3 ===================================== Write number: 428 Temperature: 1.300000 Total energy: -719.697108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -719.697108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -719.697108 (E_RNA) where: Base-Base interactions energy: -361.188 where: short stacking energy: -180.392 Base-Backbone interact. energy: -1.387 local terms energy: -357.122688 where: bonds (distance) C4'-P energy: -97.147 bonds (distance) P-C4' energy: -110.388 flat angles C4'-P-C4' energy: -87.865 flat angles P-C4'-P energy: -70.062 tors. eta vs tors. theta energy: 8.340 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: 10, replica: 4 ===================================== Write number: 428 Temperature: 1.350000 Total energy: -491.109138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -491.109138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -491.109138 (E_RNA) where: Base-Base interactions energy: -156.719 where: short stacking energy: -104.117 Base-Backbone interact. energy: 2.320 local terms energy: -336.710369 where: bonds (distance) C4'-P energy: -95.244 bonds (distance) P-C4' energy: -131.822 flat angles C4'-P-C4' energy: -82.230 flat angles P-C4'-P energy: -47.645 tors. eta vs tors. theta energy: 20.230 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 429 Temperature: 0.900000 Total energy: -2293.246299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2293.246299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2293.246299 (E_RNA) where: Base-Base interactions energy: -1547.586 where: short stacking energy: -666.302 Base-Backbone interact. energy: -4.183 local terms energy: -741.477539 where: bonds (distance) C4'-P energy: -133.526 bonds (distance) P-C4' energy: -128.813 flat angles C4'-P-C4' energy: -153.081 flat angles P-C4'-P energy: -111.378 tors. eta vs tors. theta energy: -214.679 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 429 Temperature: 0.950000 Total energy: -2190.159894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2190.159894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2190.159894 (E_RNA) where: Base-Base interactions energy: -1480.807 where: short stacking energy: -613.563 Base-Backbone interact. energy: 0.514 local terms energy: -709.866746 where: bonds (distance) C4'-P energy: -137.388 bonds (distance) P-C4' energy: -125.327 flat angles C4'-P-C4' energy: -145.761 flat angles P-C4'-P energy: -96.477 tors. eta vs tors. theta energy: -204.914 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 429 Temperature: 1.000000 Total energy: -2133.426645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2133.426645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2133.426645 (E_RNA) where: Base-Base interactions energy: -1434.430 where: short stacking energy: -599.042 Base-Backbone interact. energy: -1.339 local terms energy: -697.658409 where: bonds (distance) C4'-P energy: -115.038 bonds (distance) P-C4' energy: -140.043 flat angles C4'-P-C4' energy: -143.218 flat angles P-C4'-P energy: -97.442 tors. eta vs tors. theta energy: -201.917 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: 7 ===================================== Write number: 429 Temperature: 1.050000 Total energy: -2038.121557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2038.121557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2038.121557 (E_RNA) where: Base-Base interactions energy: -1361.802 where: short stacking energy: -585.008 Base-Backbone interact. energy: 1.842 local terms energy: -678.161603 where: bonds (distance) C4'-P energy: -123.817 bonds (distance) P-C4' energy: -116.824 flat angles C4'-P-C4' energy: -130.701 flat angles P-C4'-P energy: -113.298 tors. eta vs tors. theta energy: -193.521 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: 5, replica: 5 ===================================== Write number: 429 Temperature: 1.100000 Total energy: -1941.636365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1941.636365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1941.636365 (E_RNA) where: Base-Base interactions energy: -1292.677 where: short stacking energy: -542.735 Base-Backbone interact. energy: -4.563 local terms energy: -644.395855 where: bonds (distance) C4'-P energy: -145.087 bonds (distance) P-C4' energy: -117.989 flat angles C4'-P-C4' energy: -128.860 flat angles P-C4'-P energy: -84.802 tors. eta vs tors. theta energy: -167.658 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 429 Temperature: 1.150000 Total energy: -1583.211809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1583.211809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1583.211809 (E_RNA) where: Base-Base interactions energy: -1071.914 where: short stacking energy: -472.031 Base-Backbone interact. energy: 2.147 local terms energy: -513.445269 where: bonds (distance) C4'-P energy: -115.790 bonds (distance) P-C4' energy: -100.189 flat angles C4'-P-C4' energy: -106.783 flat angles P-C4'-P energy: -61.748 tors. eta vs tors. theta energy: -128.935 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: 1 ===================================== Write number: 429 Temperature: 1.200000 Total energy: -1074.406495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1074.406495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1074.406495 (E_RNA) where: Base-Base interactions energy: -623.221 where: short stacking energy: -281.416 Base-Backbone interact. energy: -0.572 local terms energy: -450.612935 where: bonds (distance) C4'-P energy: -110.960 bonds (distance) P-C4' energy: -117.326 flat angles C4'-P-C4' energy: -117.186 flat angles P-C4'-P energy: -61.242 tors. eta vs tors. theta energy: -43.899 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: 8, replica: 3 ===================================== Write number: 429 Temperature: 1.250000 Total energy: -849.282462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -849.282462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -849.282462 (E_RNA) where: Base-Base interactions energy: -446.309 where: short stacking energy: -257.380 Base-Backbone interact. energy: -1.027 local terms energy: -401.946418 where: bonds (distance) C4'-P energy: -89.091 bonds (distance) P-C4' energy: -112.063 flat angles C4'-P-C4' energy: -113.910 flat angles P-C4'-P energy: -63.854 tors. eta vs tors. theta energy: -23.028 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 429 Temperature: 1.300000 Total energy: -648.762214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -648.762214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -648.762214 (E_RNA) where: Base-Base interactions energy: -295.208 where: short stacking energy: -192.557 Base-Backbone interact. energy: 3.000 local terms energy: -356.554529 where: bonds (distance) C4'-P energy: -105.977 bonds (distance) P-C4' energy: -106.812 flat angles C4'-P-C4' energy: -99.221 flat angles P-C4'-P energy: -55.234 tors. eta vs tors. theta energy: 10.689 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: 4 ===================================== Write number: 429 Temperature: 1.350000 Total energy: -483.224020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -483.224020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -483.224020 (E_RNA) where: Base-Base interactions energy: -134.823 where: short stacking energy: -101.137 Base-Backbone interact. energy: -2.453 local terms energy: -345.947993 where: bonds (distance) C4'-P energy: -118.421 bonds (distance) P-C4' energy: -111.426 flat angles C4'-P-C4' energy: -90.161 flat angles P-C4'-P energy: -46.595 tors. eta vs tors. theta energy: 20.655 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: 430 Temperature: 0.900000 Total energy: -2297.380004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2297.380004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2297.380004 (E_RNA) where: Base-Base interactions energy: -1569.555 where: short stacking energy: -676.906 Base-Backbone interact. energy: -1.388 local terms energy: -726.436783 where: bonds (distance) C4'-P energy: -130.144 bonds (distance) P-C4' energy: -136.469 flat angles C4'-P-C4' energy: -147.878 flat angles P-C4'-P energy: -100.326 tors. eta vs tors. theta energy: -211.620 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 430 Temperature: 0.950000 Total energy: -2173.163121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2173.163121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2173.163121 (E_RNA) where: Base-Base interactions energy: -1468.061 where: short stacking energy: -622.201 Base-Backbone interact. energy: -0.250 local terms energy: -704.852184 where: bonds (distance) C4'-P energy: -125.740 bonds (distance) P-C4' energy: -128.293 flat angles C4'-P-C4' energy: -142.001 flat angles P-C4'-P energy: -108.155 tors. eta vs tors. theta energy: -200.663 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 430 Temperature: 1.000000 Total energy: -2117.501847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2117.501847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2117.501847 (E_RNA) where: Base-Base interactions energy: -1417.341 where: short stacking energy: -598.399 Base-Backbone interact. energy: -1.345 local terms energy: -698.816006 where: bonds (distance) C4'-P energy: -130.542 bonds (distance) P-C4' energy: -125.869 flat angles C4'-P-C4' energy: -152.868 flat angles P-C4'-P energy: -106.138 tors. eta vs tors. theta energy: -183.398 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 430 Temperature: 1.050000 Total energy: -2072.770720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2072.770720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2072.770720 (E_RNA) where: Base-Base interactions energy: -1409.792 where: short stacking energy: -586.864 Base-Backbone interact. energy: -0.922 local terms energy: -662.056274 where: bonds (distance) C4'-P energy: -118.902 bonds (distance) P-C4' energy: -125.092 flat angles C4'-P-C4' energy: -139.448 flat angles P-C4'-P energy: -94.788 tors. eta vs tors. theta energy: -183.827 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 430 Temperature: 1.100000 Total energy: -1939.917000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1939.917000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1939.917000 (E_RNA) where: Base-Base interactions energy: -1313.724 where: short stacking energy: -548.079 Base-Backbone interact. energy: -0.593 local terms energy: -625.599848 where: bonds (distance) C4'-P energy: -111.980 bonds (distance) P-C4' energy: -123.030 flat angles C4'-P-C4' energy: -130.666 flat angles P-C4'-P energy: -88.371 tors. eta vs tors. theta energy: -171.552 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: 10 ===================================== Write number: 430 Temperature: 1.150000 Total energy: -1595.565589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1595.565589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1595.565589 (E_RNA) where: Base-Base interactions energy: -1009.995 where: short stacking energy: -449.079 Base-Backbone interact. energy: -1.238 local terms energy: -584.332511 where: bonds (distance) C4'-P energy: -128.353 bonds (distance) P-C4' energy: -126.696 flat angles C4'-P-C4' energy: -130.539 flat angles P-C4'-P energy: -76.600 tors. eta vs tors. theta energy: -122.143 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: 1 ===================================== Write number: 430 Temperature: 1.200000 Total energy: -1154.952931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1154.952931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1154.952931 (E_RNA) where: Base-Base interactions energy: -681.676 where: short stacking energy: -318.214 Base-Backbone interact. energy: -3.488 local terms energy: -469.788492 where: bonds (distance) C4'-P energy: -114.342 bonds (distance) P-C4' energy: -116.169 flat angles C4'-P-C4' energy: -121.133 flat angles P-C4'-P energy: -67.251 tors. eta vs tors. theta energy: -50.894 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: 3 ===================================== Write number: 430 Temperature: 1.250000 Total energy: -832.290406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -832.290406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -832.290406 (E_RNA) where: Base-Base interactions energy: -409.847 where: short stacking energy: -251.715 Base-Backbone interact. energy: -2.612 local terms energy: -419.831083 where: bonds (distance) C4'-P energy: -116.970 bonds (distance) P-C4' energy: -94.727 flat angles C4'-P-C4' energy: -103.030 flat angles P-C4'-P energy: -67.794 tors. eta vs tors. theta energy: -37.310 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 430 Temperature: 1.300000 Total energy: -653.138100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -653.138100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -653.138100 (E_RNA) where: Base-Base interactions energy: -279.004 where: short stacking energy: -194.695 Base-Backbone interact. energy: 2.228 local terms energy: -376.362107 where: bonds (distance) C4'-P energy: -98.049 bonds (distance) P-C4' energy: -114.442 flat angles C4'-P-C4' energy: -100.640 flat angles P-C4'-P energy: -66.956 tors. eta vs tors. theta energy: 3.724 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: 4 ===================================== Write number: 430 Temperature: 1.350000 Total energy: -478.809462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -478.809462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -478.809462 (E_RNA) where: Base-Base interactions energy: -164.693 where: short stacking energy: -118.867 Base-Backbone interact. energy: -4.643 local terms energy: -309.473632 where: bonds (distance) C4'-P energy: -100.442 bonds (distance) P-C4' energy: -120.182 flat angles C4'-P-C4' energy: -82.207 flat angles P-C4'-P energy: -39.351 tors. eta vs tors. theta energy: 32.709 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 431 Temperature: 0.900000 Total energy: -2326.118088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2326.118088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2326.118088 (E_RNA) where: Base-Base interactions energy: -1571.267 where: short stacking energy: -670.429 Base-Backbone interact. energy: -2.594 local terms energy: -752.257686 where: bonds (distance) C4'-P energy: -132.683 bonds (distance) P-C4' energy: -128.592 flat angles C4'-P-C4' energy: -166.275 flat angles P-C4'-P energy: -110.861 tors. eta vs tors. theta energy: -213.847 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: 6 ===================================== Write number: 431 Temperature: 0.950000 Total energy: -2170.314481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2170.314481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2170.314481 (E_RNA) where: Base-Base interactions energy: -1452.187 where: short stacking energy: -622.143 Base-Backbone interact. energy: 3.839 local terms energy: -721.966895 where: bonds (distance) C4'-P energy: -133.665 bonds (distance) P-C4' energy: -129.505 flat angles C4'-P-C4' energy: -160.506 flat angles P-C4'-P energy: -104.399 tors. eta vs tors. theta energy: -193.892 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 431 Temperature: 1.000000 Total energy: -2141.861555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2141.861555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2141.861555 (E_RNA) where: Base-Base interactions energy: -1464.018 where: short stacking energy: -603.165 Base-Backbone interact. energy: 3.655 local terms energy: -681.498994 where: bonds (distance) C4'-P energy: -128.123 bonds (distance) P-C4' energy: -122.285 flat angles C4'-P-C4' energy: -136.586 flat angles P-C4'-P energy: -95.821 tors. eta vs tors. theta energy: -198.684 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 431 Temperature: 1.050000 Total energy: -2068.286757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2068.286757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2068.286757 (E_RNA) where: Base-Base interactions energy: -1408.650 where: short stacking energy: -610.251 Base-Backbone interact. energy: -2.907 local terms energy: -656.730544 where: bonds (distance) C4'-P energy: -116.196 bonds (distance) P-C4' energy: -102.287 flat angles C4'-P-C4' energy: -137.612 flat angles P-C4'-P energy: -103.806 tors. eta vs tors. theta energy: -196.829 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: 5 ===================================== Write number: 431 Temperature: 1.100000 Total energy: -1889.115126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1889.115126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1889.115126 (E_RNA) where: Base-Base interactions energy: -1282.284 where: short stacking energy: -523.783 Base-Backbone interact. energy: -2.332 local terms energy: -604.498387 where: bonds (distance) C4'-P energy: -114.382 bonds (distance) P-C4' energy: -126.482 flat angles C4'-P-C4' energy: -128.861 flat angles P-C4'-P energy: -75.415 tors. eta vs tors. theta energy: -159.358 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: 10 ===================================== Write number: 431 Temperature: 1.150000 Total energy: -1542.302139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1542.302139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1542.302139 (E_RNA) where: Base-Base interactions energy: -1007.107 where: short stacking energy: -425.146 Base-Backbone interact. energy: -1.055 local terms energy: -534.139767 where: bonds (distance) C4'-P energy: -101.036 bonds (distance) P-C4' energy: -114.554 flat angles C4'-P-C4' energy: -122.279 flat angles P-C4'-P energy: -71.501 tors. eta vs tors. theta energy: -124.770 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 431 Temperature: 1.200000 Total energy: -1075.532154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1075.532154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1075.532154 (E_RNA) where: Base-Base interactions energy: -642.945 where: short stacking energy: -290.322 Base-Backbone interact. energy: -0.851 local terms energy: -431.735785 where: bonds (distance) C4'-P energy: -107.644 bonds (distance) P-C4' energy: -110.561 flat angles C4'-P-C4' energy: -120.550 flat angles P-C4'-P energy: -61.730 tors. eta vs tors. theta energy: -31.251 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: 3 ===================================== Write number: 431 Temperature: 1.250000 Total energy: -780.336926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -780.336926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -780.336926 (E_RNA) where: Base-Base interactions energy: -372.325 where: short stacking energy: -195.733 Base-Backbone interact. energy: 6.779 local terms energy: -414.790623 where: bonds (distance) C4'-P energy: -116.974 bonds (distance) P-C4' energy: -120.947 flat angles C4'-P-C4' energy: -103.756 flat angles P-C4'-P energy: -74.168 tors. eta vs tors. theta energy: 1.055 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 431 Temperature: 1.300000 Total energy: -647.042493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -647.042493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -647.042493 (E_RNA) where: Base-Base interactions energy: -283.507 where: short stacking energy: -186.227 Base-Backbone interact. energy: 5.755 local terms energy: -369.290684 where: bonds (distance) C4'-P energy: -114.647 bonds (distance) P-C4' energy: -119.988 flat angles C4'-P-C4' energy: -99.879 flat angles P-C4'-P energy: -36.675 tors. eta vs tors. theta energy: 1.898 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: 4 ===================================== Write number: 431 Temperature: 1.350000 Total energy: -477.869095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -477.869095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -477.869095 (E_RNA) where: Base-Base interactions energy: -153.191 where: short stacking energy: -116.754 Base-Backbone interact. energy: 1.111 local terms energy: -325.789493 where: bonds (distance) C4'-P energy: -108.107 bonds (distance) P-C4' energy: -115.994 flat angles C4'-P-C4' energy: -76.601 flat angles P-C4'-P energy: -72.286 tors. eta vs tors. theta energy: 47.199 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: 8 ===================================== Write number: 432 Temperature: 0.900000 Total energy: -2301.634594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2301.634594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2301.634594 (E_RNA) where: Base-Base interactions energy: -1539.681 where: short stacking energy: -664.629 Base-Backbone interact. energy: -1.799 local terms energy: -760.154531 where: bonds (distance) C4'-P energy: -139.619 bonds (distance) P-C4' energy: -138.017 flat angles C4'-P-C4' energy: -158.654 flat angles P-C4'-P energy: -113.414 tors. eta vs tors. theta energy: -210.450 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 432 Temperature: 0.950000 Total energy: -2160.065285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2160.065285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2160.065285 (E_RNA) where: Base-Base interactions energy: -1451.447 where: short stacking energy: -634.683 Base-Backbone interact. energy: -2.950 local terms energy: -705.667836 where: bonds (distance) C4'-P energy: -127.009 bonds (distance) P-C4' energy: -134.464 flat angles C4'-P-C4' energy: -147.843 flat angles P-C4'-P energy: -97.612 tors. eta vs tors. theta energy: -198.741 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 432 Temperature: 1.000000 Total energy: -2127.481425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2127.481425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2127.481425 (E_RNA) where: Base-Base interactions energy: -1417.242 where: short stacking energy: -606.640 Base-Backbone interact. energy: 0.166 local terms energy: -710.405088 where: bonds (distance) C4'-P energy: -128.075 bonds (distance) P-C4' energy: -138.056 flat angles C4'-P-C4' energy: -150.383 flat angles P-C4'-P energy: -88.563 tors. eta vs tors. theta energy: -205.328 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 432 Temperature: 1.050000 Total energy: -2067.148092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2067.148092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2067.148092 (E_RNA) where: Base-Base interactions energy: -1367.296 where: short stacking energy: -583.412 Base-Backbone interact. energy: -3.223 local terms energy: -696.629222 where: bonds (distance) C4'-P energy: -137.676 bonds (distance) P-C4' energy: -116.556 flat angles C4'-P-C4' energy: -148.123 flat angles P-C4'-P energy: -101.456 tors. eta vs tors. theta energy: -192.818 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 432 Temperature: 1.100000 Total energy: -1920.667304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1920.667304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1920.667304 (E_RNA) where: Base-Base interactions energy: -1300.893 where: short stacking energy: -529.624 Base-Backbone interact. energy: -1.987 local terms energy: -617.787272 where: bonds (distance) C4'-P energy: -112.427 bonds (distance) P-C4' energy: -108.707 flat angles C4'-P-C4' energy: -142.555 flat angles P-C4'-P energy: -75.099 tors. eta vs tors. theta energy: -178.999 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 432 Temperature: 1.150000 Total energy: -1548.903881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1548.903881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1548.903881 (E_RNA) where: Base-Base interactions energy: -989.821 where: short stacking energy: -435.804 Base-Backbone interact. energy: 3.011 local terms energy: -562.094528 where: bonds (distance) C4'-P energy: -106.087 bonds (distance) P-C4' energy: -126.275 flat angles C4'-P-C4' energy: -126.220 flat angles P-C4'-P energy: -88.068 tors. eta vs tors. theta energy: -115.444 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: 1 ===================================== Write number: 432 Temperature: 1.200000 Total energy: -1121.186954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1121.186954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1121.186954 (E_RNA) where: Base-Base interactions energy: -668.501 where: short stacking energy: -301.144 Base-Backbone interact. energy: -0.948 local terms energy: -451.738363 where: bonds (distance) C4'-P energy: -97.343 bonds (distance) P-C4' energy: -131.809 flat angles C4'-P-C4' energy: -113.440 flat angles P-C4'-P energy: -66.027 tors. eta vs tors. theta energy: -43.119 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: 3 ===================================== Write number: 432 Temperature: 1.250000 Total energy: -752.873021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -752.873021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -752.873021 (E_RNA) where: Base-Base interactions energy: -396.658 where: short stacking energy: -203.725 Base-Backbone interact. energy: -1.645 local terms energy: -354.569837 where: bonds (distance) C4'-P energy: -121.541 bonds (distance) P-C4' energy: -108.075 flat angles C4'-P-C4' energy: -80.562 flat angles P-C4'-P energy: -61.377 tors. eta vs tors. theta energy: 16.986 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: 9 ===================================== Write number: 432 Temperature: 1.300000 Total energy: -687.932539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -687.932539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -687.932539 (E_RNA) where: Base-Base interactions energy: -301.675 where: short stacking energy: -201.161 Base-Backbone interact. energy: -1.459 local terms energy: -384.798031 where: bonds (distance) C4'-P energy: -115.721 bonds (distance) P-C4' energy: -125.979 flat angles C4'-P-C4' energy: -86.428 flat angles P-C4'-P energy: -48.063 tors. eta vs tors. theta energy: -8.607 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: 10, replica: 4 ===================================== Write number: 432 Temperature: 1.350000 Total energy: -515.851160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -515.851160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -515.851160 (E_RNA) where: Base-Base interactions energy: -191.523 where: short stacking energy: -147.366 Base-Backbone interact. energy: 2.551 local terms energy: -326.987555 where: bonds (distance) C4'-P energy: -96.573 bonds (distance) P-C4' energy: -117.279 flat angles C4'-P-C4' energy: -94.106 flat angles P-C4'-P energy: -52.998 tors. eta vs tors. theta energy: 33.968 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.109 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 433 Temperature: 0.900000 Total energy: -2290.770444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2290.770444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2290.770444 (E_RNA) where: Base-Base interactions energy: -1578.864 where: short stacking energy: -675.044 Base-Backbone interact. energy: -1.798 local terms energy: -710.108603 where: bonds (distance) C4'-P energy: -129.953 bonds (distance) P-C4' energy: -130.875 flat angles C4'-P-C4' energy: -147.118 flat angles P-C4'-P energy: -94.013 tors. eta vs tors. theta energy: -208.149 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: 2, replica: 2 ===================================== Write number: 433 Temperature: 0.950000 Total energy: -2181.196713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2181.196713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2181.196713 (E_RNA) where: Base-Base interactions energy: -1483.526 where: short stacking energy: -605.303 Base-Backbone interact. energy: -1.097 local terms energy: -696.573522 where: bonds (distance) C4'-P energy: -128.646 bonds (distance) P-C4' energy: -121.842 flat angles C4'-P-C4' energy: -144.743 flat angles P-C4'-P energy: -96.591 tors. eta vs tors. theta energy: -204.752 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 433 Temperature: 1.000000 Total energy: -2126.410332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2126.410332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2126.410332 (E_RNA) where: Base-Base interactions energy: -1438.553 where: short stacking energy: -612.023 Base-Backbone interact. energy: 0.723 local terms energy: -688.579831 where: bonds (distance) C4'-P energy: -122.535 bonds (distance) P-C4' energy: -147.220 flat angles C4'-P-C4' energy: -148.645 flat angles P-C4'-P energy: -79.534 tors. eta vs tors. theta energy: -190.646 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: 7 ===================================== Write number: 433 Temperature: 1.050000 Total energy: -2041.421653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2041.421653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2041.421653 (E_RNA) where: Base-Base interactions energy: -1379.032 where: short stacking energy: -604.782 Base-Backbone interact. energy: 0.669 local terms energy: -663.058647 where: bonds (distance) C4'-P energy: -119.317 bonds (distance) P-C4' energy: -117.694 flat angles C4'-P-C4' energy: -142.677 flat angles P-C4'-P energy: -93.700 tors. eta vs tors. theta energy: -189.671 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: 433 Temperature: 1.100000 Total energy: -1945.445068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1945.445068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1945.445068 (E_RNA) where: Base-Base interactions energy: -1291.974 where: short stacking energy: -535.941 Base-Backbone interact. energy: -6.284 local terms energy: -647.187770 where: bonds (distance) C4'-P energy: -119.201 bonds (distance) P-C4' energy: -118.866 flat angles C4'-P-C4' energy: -145.501 flat angles P-C4'-P energy: -87.555 tors. eta vs tors. theta energy: -176.065 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: 10 ===================================== Write number: 433 Temperature: 1.150000 Total energy: -1585.484215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1585.484215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1585.484215 (E_RNA) where: Base-Base interactions energy: -1022.584 where: short stacking energy: -455.122 Base-Backbone interact. energy: 6.019 local terms energy: -568.919125 where: bonds (distance) C4'-P energy: -113.246 bonds (distance) P-C4' energy: -122.625 flat angles C4'-P-C4' energy: -117.368 flat angles P-C4'-P energy: -89.744 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: 7, replica: 1 ===================================== Write number: 433 Temperature: 1.200000 Total energy: -1156.345654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1156.345654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1156.345654 (E_RNA) where: Base-Base interactions energy: -688.461 where: short stacking energy: -301.901 Base-Backbone interact. energy: -0.577 local terms energy: -467.307497 where: bonds (distance) C4'-P energy: -110.214 bonds (distance) P-C4' energy: -116.685 flat angles C4'-P-C4' energy: -102.414 flat angles P-C4'-P energy: -79.956 tors. eta vs tors. theta energy: -58.038 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 433 Temperature: 1.250000 Total energy: -825.666801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -825.666801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -825.666801 (E_RNA) where: Base-Base interactions energy: -415.431 where: short stacking energy: -229.798 Base-Backbone interact. energy: -0.515 local terms energy: -409.720480 where: bonds (distance) C4'-P energy: -100.950 bonds (distance) P-C4' energy: -120.682 flat angles C4'-P-C4' energy: -103.116 flat angles P-C4'-P energy: -59.289 tors. eta vs tors. theta energy: -25.684 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 433 Temperature: 1.300000 Total energy: -672.128844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -672.128844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -672.128844 (E_RNA) where: Base-Base interactions energy: -295.970 where: short stacking energy: -183.211 Base-Backbone interact. energy: 1.089 local terms energy: -377.248497 where: bonds (distance) C4'-P energy: -112.184 bonds (distance) P-C4' energy: -113.168 flat angles C4'-P-C4' energy: -85.689 flat angles P-C4'-P energy: -55.635 tors. eta vs tors. theta energy: -10.573 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: 4 ===================================== Write number: 433 Temperature: 1.350000 Total energy: -481.759077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -481.759077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -481.759077 (E_RNA) where: Base-Base interactions energy: -173.472 where: short stacking energy: -147.514 Base-Backbone interact. energy: 5.078 local terms energy: -313.364999 where: bonds (distance) C4'-P energy: -95.515 bonds (distance) P-C4' energy: -97.451 flat angles C4'-P-C4' energy: -94.892 flat angles P-C4'-P energy: -52.708 tors. eta vs tors. theta energy: 27.202 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: 434 Temperature: 0.900000 Total energy: -2273.185905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2273.185905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2273.185905 (E_RNA) where: Base-Base interactions energy: -1556.645 where: short stacking energy: -647.007 Base-Backbone interact. energy: -2.374 local terms energy: -714.167662 where: bonds (distance) C4'-P energy: -135.331 bonds (distance) P-C4' energy: -116.725 flat angles C4'-P-C4' energy: -144.714 flat angles P-C4'-P energy: -109.789 tors. eta vs tors. theta energy: -207.609 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 434 Temperature: 0.950000 Total energy: -2187.887393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2187.887393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2187.887393 (E_RNA) where: Base-Base interactions energy: -1487.522 where: short stacking energy: -608.138 Base-Backbone interact. energy: -2.355 local terms energy: -698.011048 where: bonds (distance) C4'-P energy: -140.074 bonds (distance) P-C4' energy: -122.371 flat angles C4'-P-C4' energy: -150.123 flat angles P-C4'-P energy: -85.300 tors. eta vs tors. theta energy: -200.144 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 434 Temperature: 1.000000 Total energy: -2100.807926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2100.807926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2100.807926 (E_RNA) where: Base-Base interactions energy: -1438.108 where: short stacking energy: -616.547 Base-Backbone interact. energy: -2.214 local terms energy: -660.486465 where: bonds (distance) C4'-P energy: -121.246 bonds (distance) P-C4' energy: -125.434 flat angles C4'-P-C4' energy: -128.323 flat angles P-C4'-P energy: -92.866 tors. eta vs tors. theta energy: -192.618 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: 7 ===================================== Write number: 434 Temperature: 1.050000 Total energy: -2006.632430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2006.632430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2006.632430 (E_RNA) where: Base-Base interactions energy: -1335.430 where: short stacking energy: -548.546 Base-Backbone interact. energy: 6.490 local terms energy: -677.692229 where: bonds (distance) C4'-P energy: -109.487 bonds (distance) P-C4' energy: -144.085 flat angles C4'-P-C4' energy: -144.241 flat angles P-C4'-P energy: -101.082 tors. eta vs tors. theta energy: -178.796 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: 5 ===================================== Write number: 434 Temperature: 1.100000 Total energy: -1906.111929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1906.111929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1906.111929 (E_RNA) where: Base-Base interactions energy: -1273.310 where: short stacking energy: -558.983 Base-Backbone interact. energy: -4.106 local terms energy: -628.696294 where: bonds (distance) C4'-P energy: -106.858 bonds (distance) P-C4' energy: -119.606 flat angles C4'-P-C4' energy: -143.460 flat angles P-C4'-P energy: -92.589 tors. eta vs tors. theta energy: -166.184 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: 6, replica: 10 ===================================== Write number: 434 Temperature: 1.150000 Total energy: -1627.458606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1627.458606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1627.458606 (E_RNA) where: Base-Base interactions energy: -1030.118 where: short stacking energy: -442.887 Base-Backbone interact. energy: -0.967 local terms energy: -596.374425 where: bonds (distance) C4'-P energy: -128.923 bonds (distance) P-C4' energy: -130.944 flat angles C4'-P-C4' energy: -130.622 flat angles P-C4'-P energy: -77.982 tors. eta vs tors. theta energy: -127.904 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 434 Temperature: 1.200000 Total energy: -1200.621960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1200.621960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1200.621960 (E_RNA) where: Base-Base interactions energy: -723.652 where: short stacking energy: -321.662 Base-Backbone interact. energy: -0.926 local terms energy: -476.043882 where: bonds (distance) C4'-P energy: -99.594 bonds (distance) P-C4' energy: -120.619 flat angles C4'-P-C4' energy: -123.481 flat angles P-C4'-P energy: -76.227 tors. eta vs tors. theta energy: -56.123 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 434 Temperature: 1.250000 Total energy: -870.997007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -870.997007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -870.997007 (E_RNA) where: Base-Base interactions energy: -445.090 where: short stacking energy: -224.791 Base-Backbone interact. energy: -0.670 local terms energy: -425.237731 where: bonds (distance) C4'-P energy: -124.393 bonds (distance) P-C4' energy: -107.533 flat angles C4'-P-C4' energy: -106.886 flat angles P-C4'-P energy: -69.362 tors. eta vs tors. theta energy: -17.063 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: 9 ===================================== Write number: 434 Temperature: 1.300000 Total energy: -642.612231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -642.612231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -642.612231 (E_RNA) where: Base-Base interactions energy: -297.785 where: short stacking energy: -162.442 Base-Backbone interact. energy: -0.406 local terms energy: -344.421536 where: bonds (distance) C4'-P energy: -105.113 bonds (distance) P-C4' energy: -120.262 flat angles C4'-P-C4' energy: -89.695 flat angles P-C4'-P energy: -59.757 tors. eta vs tors. theta energy: 30.406 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: 4 ===================================== Write number: 434 Temperature: 1.350000 Total energy: -490.361892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -490.361892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -490.361892 (E_RNA) where: Base-Base interactions energy: -167.785 where: short stacking energy: -122.010 Base-Backbone interact. energy: 0.638 local terms energy: -323.214282 where: bonds (distance) C4'-P energy: -95.375 bonds (distance) P-C4' energy: -94.047 flat angles C4'-P-C4' energy: -100.274 flat angles P-C4'-P energy: -62.055 tors. eta vs tors. theta energy: 28.537 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: 435 Temperature: 0.900000 Total energy: -2315.343237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2315.343237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2315.343237 (E_RNA) where: Base-Base interactions energy: -1577.315 where: short stacking energy: -647.426 Base-Backbone interact. energy: -3.202 local terms energy: -734.826041 where: bonds (distance) C4'-P energy: -123.837 bonds (distance) P-C4' energy: -143.458 flat angles C4'-P-C4' energy: -153.762 flat angles P-C4'-P energy: -104.929 tors. eta vs tors. theta energy: -208.839 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: 2 ===================================== Write number: 435 Temperature: 0.950000 Total energy: -2182.656822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2182.656822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2182.656822 (E_RNA) where: Base-Base interactions energy: -1467.622 where: short stacking energy: -627.000 Base-Backbone interact. energy: -4.044 local terms energy: -710.991560 where: bonds (distance) C4'-P energy: -134.335 bonds (distance) P-C4' energy: -108.514 flat angles C4'-P-C4' energy: -153.619 flat angles P-C4'-P energy: -104.018 tors. eta vs tors. theta energy: -210.505 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: 435 Temperature: 1.000000 Total energy: -2107.874095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2107.874095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2107.874095 (E_RNA) where: Base-Base interactions energy: -1448.129 where: short stacking energy: -613.165 Base-Backbone interact. energy: -1.347 local terms energy: -658.398603 where: bonds (distance) C4'-P energy: -103.825 bonds (distance) P-C4' energy: -128.066 flat angles C4'-P-C4' energy: -149.188 flat angles P-C4'-P energy: -88.301 tors. eta vs tors. theta energy: -189.019 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 435 Temperature: 1.050000 Total energy: -2037.665320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2037.665320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2037.665320 (E_RNA) where: Base-Base interactions energy: -1391.530 where: short stacking energy: -582.254 Base-Backbone interact. energy: -1.050 local terms energy: -645.085609 where: bonds (distance) C4'-P energy: -121.403 bonds (distance) P-C4' energy: -118.178 flat angles C4'-P-C4' energy: -136.431 flat angles P-C4'-P energy: -83.888 tors. eta vs tors. theta energy: -185.186 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: 435 Temperature: 1.100000 Total energy: -1882.073921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1882.073921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1882.073921 (E_RNA) where: Base-Base interactions energy: -1267.714 where: short stacking energy: -549.116 Base-Backbone interact. energy: 0.061 local terms energy: -614.421508 where: bonds (distance) C4'-P energy: -116.511 bonds (distance) P-C4' energy: -116.367 flat angles C4'-P-C4' energy: -136.613 flat angles P-C4'-P energy: -87.966 tors. eta vs tors. theta energy: -156.964 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 435 Temperature: 1.150000 Total energy: -1551.334306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1551.334306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1551.334306 (E_RNA) where: Base-Base interactions energy: -981.616 where: short stacking energy: -463.875 Base-Backbone interact. energy: 0.274 local terms energy: -569.992378 where: bonds (distance) C4'-P energy: -127.292 bonds (distance) P-C4' energy: -111.473 flat angles C4'-P-C4' energy: -122.091 flat angles P-C4'-P energy: -73.971 tors. eta vs tors. theta energy: -135.165 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: 1 ===================================== Write number: 435 Temperature: 1.200000 Total energy: -1159.334899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1159.334899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1159.334899 (E_RNA) where: Base-Base interactions energy: -668.054 where: short stacking energy: -303.546 Base-Backbone interact. energy: -1.123 local terms energy: -490.157269 where: bonds (distance) C4'-P energy: -132.931 bonds (distance) P-C4' energy: -110.826 flat angles C4'-P-C4' energy: -106.781 flat angles P-C4'-P energy: -77.630 tors. eta vs tors. theta energy: -61.989 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 435 Temperature: 1.250000 Total energy: -779.293710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -779.293710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -779.293710 (E_RNA) where: Base-Base interactions energy: -398.750 where: short stacking energy: -227.791 Base-Backbone interact. energy: -1.813 local terms energy: -378.730773 where: bonds (distance) C4'-P energy: -99.679 bonds (distance) P-C4' energy: -114.170 flat angles C4'-P-C4' energy: -86.035 flat angles P-C4'-P energy: -62.519 tors. eta vs tors. theta energy: -16.328 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 435 Temperature: 1.300000 Total energy: -641.603103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -641.603103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -641.603103 (E_RNA) where: Base-Base interactions energy: -262.820 where: short stacking energy: -160.539 Base-Backbone interact. energy: -3.655 local terms energy: -375.127482 where: bonds (distance) C4'-P energy: -113.126 bonds (distance) P-C4' energy: -125.274 flat angles C4'-P-C4' energy: -98.828 flat angles P-C4'-P energy: -64.189 tors. eta vs tors. theta energy: 26.290 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: 4 ===================================== Write number: 435 Temperature: 1.350000 Total energy: -498.668600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -498.668600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -498.668600 (E_RNA) where: Base-Base interactions energy: -154.724 where: short stacking energy: -107.052 Base-Backbone interact. energy: 2.132 local terms energy: -346.076939 where: bonds (distance) C4'-P energy: -117.052 bonds (distance) P-C4' energy: -96.722 flat angles C4'-P-C4' energy: -95.185 flat angles P-C4'-P energy: -52.266 tors. eta vs tors. theta energy: 15.148 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 436 Temperature: 0.900000 Total energy: -2308.654655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2308.654655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2308.654655 (E_RNA) where: Base-Base interactions energy: -1559.003 where: short stacking energy: -644.012 Base-Backbone interact. energy: -3.695 local terms energy: -745.957474 where: bonds (distance) C4'-P energy: -129.523 bonds (distance) P-C4' energy: -131.492 flat angles C4'-P-C4' energy: -155.004 flat angles P-C4'-P energy: -120.687 tors. eta vs tors. theta energy: -209.251 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 436 Temperature: 0.950000 Total energy: -2193.731485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2193.731485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2193.731485 (E_RNA) where: Base-Base interactions energy: -1473.415 where: short stacking energy: -622.839 Base-Backbone interact. energy: -1.712 local terms energy: -718.603751 where: bonds (distance) C4'-P energy: -136.668 bonds (distance) P-C4' energy: -137.183 flat angles C4'-P-C4' energy: -156.606 flat angles P-C4'-P energy: -92.091 tors. eta vs tors. theta energy: -196.056 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 436 Temperature: 1.000000 Total energy: -2128.607755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2128.607755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2128.607755 (E_RNA) where: Base-Base interactions energy: -1445.060 where: short stacking energy: -625.171 Base-Backbone interact. energy: 0.751 local terms energy: -684.299267 where: bonds (distance) C4'-P energy: -133.547 bonds (distance) P-C4' energy: -128.357 flat angles C4'-P-C4' energy: -155.339 flat angles P-C4'-P energy: -74.263 tors. eta vs tors. theta energy: -192.794 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 436 Temperature: 1.050000 Total energy: -2030.827213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2030.827213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2030.827213 (E_RNA) where: Base-Base interactions energy: -1356.400 where: short stacking energy: -583.118 Base-Backbone interact. energy: -3.280 local terms energy: -671.147783 where: bonds (distance) C4'-P energy: -132.381 bonds (distance) P-C4' energy: -130.396 flat angles C4'-P-C4' energy: -134.186 flat angles P-C4'-P energy: -87.601 tors. eta vs tors. theta energy: -186.584 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: 5, replica: 5 ===================================== Write number: 436 Temperature: 1.100000 Total energy: -1872.905931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1872.905931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1872.905931 (E_RNA) where: Base-Base interactions energy: -1248.126 where: short stacking energy: -528.339 Base-Backbone interact. energy: 1.035 local terms energy: -625.814674 where: bonds (distance) C4'-P energy: -124.182 bonds (distance) P-C4' energy: -128.559 flat angles C4'-P-C4' energy: -120.637 flat angles P-C4'-P energy: -85.090 tors. eta vs tors. theta energy: -167.347 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: 10 ===================================== Write number: 436 Temperature: 1.150000 Total energy: -1589.924167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1589.924167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1589.924167 (E_RNA) where: Base-Base interactions energy: -1037.636 where: short stacking energy: -429.006 Base-Backbone interact. energy: 3.938 local terms energy: -556.225921 where: bonds (distance) C4'-P energy: -123.906 bonds (distance) P-C4' energy: -118.704 flat angles C4'-P-C4' energy: -119.593 flat angles P-C4'-P energy: -73.560 tors. eta vs tors. theta energy: -120.463 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: 1 ===================================== Write number: 436 Temperature: 1.200000 Total energy: -1159.561369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1159.561369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1159.561369 (E_RNA) where: Base-Base interactions energy: -687.785 where: short stacking energy: -317.377 Base-Backbone interact. energy: 1.722 local terms energy: -473.499087 where: bonds (distance) C4'-P energy: -111.639 bonds (distance) P-C4' energy: -119.138 flat angles C4'-P-C4' energy: -116.401 flat angles P-C4'-P energy: -71.153 tors. eta vs tors. theta energy: -55.169 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 436 Temperature: 1.250000 Total energy: -750.962312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -750.962312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -750.962312 (E_RNA) where: Base-Base interactions energy: -362.767 where: short stacking energy: -194.802 Base-Backbone interact. energy: -2.490 local terms energy: -385.705689 where: bonds (distance) C4'-P energy: -102.421 bonds (distance) P-C4' energy: -131.615 flat angles C4'-P-C4' energy: -95.146 flat angles P-C4'-P energy: -59.932 tors. eta vs tors. theta energy: 3.408 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: 9, replica: 9 ===================================== Write number: 436 Temperature: 1.300000 Total energy: -653.344557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -653.344557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -653.344557 (E_RNA) where: Base-Base interactions energy: -249.442 where: short stacking energy: -161.950 Base-Backbone interact. energy: 3.355 local terms energy: -407.257977 where: bonds (distance) C4'-P energy: -114.499 bonds (distance) P-C4' energy: -119.980 flat angles C4'-P-C4' energy: -95.441 flat angles P-C4'-P energy: -71.021 tors. eta vs tors. theta energy: -6.317 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 436 Temperature: 1.350000 Total energy: -482.837763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -482.837763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -482.837763 (E_RNA) where: Base-Base interactions energy: -176.445 where: short stacking energy: -131.702 Base-Backbone interact. energy: -3.838 local terms energy: -302.555038 where: bonds (distance) C4'-P energy: -89.920 bonds (distance) P-C4' energy: -106.561 flat angles C4'-P-C4' energy: -90.525 flat angles P-C4'-P energy: -46.383 tors. eta vs tors. theta energy: 30.835 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: 8 ===================================== Write number: 437 Temperature: 0.900000 Total energy: -2297.749996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2297.749996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2297.749996 (E_RNA) where: Base-Base interactions energy: -1617.678 where: short stacking energy: -641.975 Base-Backbone interact. energy: -1.170 local terms energy: -678.902444 where: bonds (distance) C4'-P energy: -122.790 bonds (distance) P-C4' energy: -125.247 flat angles C4'-P-C4' energy: -137.027 flat angles P-C4'-P energy: -86.512 tors. eta vs tors. theta energy: -207.327 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: 437 Temperature: 0.950000 Total energy: -2172.843803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2172.843803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2172.843803 (E_RNA) where: Base-Base interactions energy: -1484.733 where: short stacking energy: -605.733 Base-Backbone interact. energy: -2.778 local terms energy: -685.332698 where: bonds (distance) C4'-P energy: -110.940 bonds (distance) P-C4' energy: -142.551 flat angles C4'-P-C4' energy: -147.153 flat angles P-C4'-P energy: -94.232 tors. eta vs tors. theta energy: -190.457 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 437 Temperature: 1.000000 Total energy: -2110.954632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2110.954632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2110.954632 (E_RNA) where: Base-Base interactions energy: -1449.459 where: short stacking energy: -617.904 Base-Backbone interact. energy: 2.020 local terms energy: -663.515243 where: bonds (distance) C4'-P energy: -124.044 bonds (distance) P-C4' energy: -132.457 flat angles C4'-P-C4' energy: -133.685 flat angles P-C4'-P energy: -89.149 tors. eta vs tors. theta energy: -184.179 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 437 Temperature: 1.050000 Total energy: -2024.910266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2024.910266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2024.910266 (E_RNA) where: Base-Base interactions energy: -1367.590 where: short stacking energy: -599.738 Base-Backbone interact. energy: -2.261 local terms energy: -655.059515 where: bonds (distance) C4'-P energy: -105.693 bonds (distance) P-C4' energy: -113.613 flat angles C4'-P-C4' energy: -146.230 flat angles P-C4'-P energy: -94.489 tors. eta vs tors. theta energy: -195.034 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 437 Temperature: 1.100000 Total energy: -1905.026731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1905.026731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1905.026731 (E_RNA) where: Base-Base interactions energy: -1287.442 where: short stacking energy: -554.732 Base-Backbone interact. energy: 2.686 local terms energy: -620.271224 where: bonds (distance) C4'-P energy: -114.247 bonds (distance) P-C4' energy: -126.698 flat angles C4'-P-C4' energy: -131.756 flat angles P-C4'-P energy: -87.012 tors. eta vs tors. theta energy: -160.558 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: 6, replica: 10 ===================================== Write number: 437 Temperature: 1.150000 Total energy: -1580.967660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1580.967660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1580.967660 (E_RNA) where: Base-Base interactions energy: -1044.729 where: short stacking energy: -467.300 Base-Backbone interact. energy: 0.556 local terms energy: -537.779773 where: bonds (distance) C4'-P energy: -99.511 bonds (distance) P-C4' energy: -108.799 flat angles C4'-P-C4' energy: -129.028 flat angles P-C4'-P energy: -78.857 tors. eta vs tors. theta energy: -121.585 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.985 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 437 Temperature: 1.200000 Total energy: -1134.403291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1134.403291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1134.403291 (E_RNA) where: Base-Base interactions energy: -679.923 where: short stacking energy: -316.911 Base-Backbone interact. energy: -2.756 local terms energy: -451.724344 where: bonds (distance) C4'-P energy: -107.866 bonds (distance) P-C4' energy: -101.544 flat angles C4'-P-C4' energy: -114.380 flat angles P-C4'-P energy: -73.342 tors. eta vs tors. theta energy: -54.592 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: 3 ===================================== Write number: 437 Temperature: 1.250000 Total energy: -704.582185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -704.582185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -704.582185 (E_RNA) where: Base-Base interactions energy: -338.225 where: short stacking energy: -219.223 Base-Backbone interact. energy: 1.108 local terms energy: -367.465596 where: bonds (distance) C4'-P energy: -112.379 bonds (distance) P-C4' energy: -109.385 flat angles C4'-P-C4' energy: -80.246 flat angles P-C4'-P energy: -62.142 tors. eta vs tors. theta energy: -3.313 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 437 Temperature: 1.300000 Total energy: -667.324973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -667.324973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -667.324973 (E_RNA) where: Base-Base interactions energy: -290.333 where: short stacking energy: -166.896 Base-Backbone interact. energy: 3.616 local terms energy: -380.607654 where: bonds (distance) C4'-P energy: -117.778 bonds (distance) P-C4' energy: -110.745 flat angles C4'-P-C4' energy: -109.958 flat angles P-C4'-P energy: -51.361 tors. eta vs tors. theta energy: 9.234 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: 4 ===================================== Write number: 437 Temperature: 1.350000 Total energy: -468.352374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -468.352374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -468.352374 (E_RNA) where: Base-Base interactions energy: -132.527 where: short stacking energy: -97.886 Base-Backbone interact. energy: -3.294 local terms energy: -332.531576 where: bonds (distance) C4'-P energy: -99.809 bonds (distance) P-C4' energy: -111.118 flat angles C4'-P-C4' energy: -92.978 flat angles P-C4'-P energy: -51.958 tors. eta vs tors. theta energy: 23.331 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: 8 ===================================== Write number: 438 Temperature: 0.900000 Total energy: -2349.398051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2349.398051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2349.398051 (E_RNA) where: Base-Base interactions energy: -1638.024 where: short stacking energy: -654.457 Base-Backbone interact. energy: -0.583 local terms energy: -710.791400 where: bonds (distance) C4'-P energy: -130.018 bonds (distance) P-C4' energy: -135.594 flat angles C4'-P-C4' energy: -146.925 flat angles P-C4'-P energy: -90.939 tors. eta vs tors. theta energy: -207.315 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: 2, replica: 2 ===================================== Write number: 438 Temperature: 0.950000 Total energy: -2171.612063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2171.612063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2171.612063 (E_RNA) where: Base-Base interactions energy: -1460.274 where: short stacking energy: -619.905 Base-Backbone interact. energy: -2.658 local terms energy: -708.680273 where: bonds (distance) C4'-P energy: -132.166 bonds (distance) P-C4' energy: -127.454 flat angles C4'-P-C4' energy: -150.896 flat angles P-C4'-P energy: -98.592 tors. eta vs tors. theta energy: -199.573 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 438 Temperature: 1.000000 Total energy: -2128.877939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2128.877939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2128.877939 (E_RNA) where: Base-Base interactions energy: -1426.909 where: short stacking energy: -593.531 Base-Backbone interact. energy: -0.428 local terms energy: -701.541930 where: bonds (distance) C4'-P energy: -128.299 bonds (distance) P-C4' energy: -131.495 flat angles C4'-P-C4' energy: -151.844 flat angles P-C4'-P energy: -101.847 tors. eta vs tors. theta energy: -188.057 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: 7 ===================================== Write number: 438 Temperature: 1.050000 Total energy: -2010.604269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2010.604269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2010.604269 (E_RNA) where: Base-Base interactions energy: -1358.549 where: short stacking energy: -582.484 Base-Backbone interact. energy: -0.149 local terms energy: -651.905961 where: bonds (distance) C4'-P energy: -125.494 bonds (distance) P-C4' energy: -125.839 flat angles C4'-P-C4' energy: -130.951 flat angles P-C4'-P energy: -86.564 tors. eta vs tors. theta energy: -183.058 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: 5, replica: 5 ===================================== Write number: 438 Temperature: 1.100000 Total energy: -1859.060591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1859.060591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1859.060591 (E_RNA) where: Base-Base interactions energy: -1247.938 where: short stacking energy: -535.076 Base-Backbone interact. energy: -1.394 local terms energy: -609.729525 where: bonds (distance) C4'-P energy: -110.266 bonds (distance) P-C4' energy: -119.188 flat angles C4'-P-C4' energy: -135.327 flat angles P-C4'-P energy: -87.238 tors. eta vs tors. theta energy: -157.711 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 438 Temperature: 1.150000 Total energy: -1528.071968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1528.071968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1528.071968 (E_RNA) where: Base-Base interactions energy: -973.135 where: short stacking energy: -414.998 Base-Backbone interact. energy: -1.682 local terms energy: -553.255090 where: bonds (distance) C4'-P energy: -113.743 bonds (distance) P-C4' energy: -136.051 flat angles C4'-P-C4' energy: -123.056 flat angles P-C4'-P energy: -66.115 tors. eta vs tors. theta energy: -114.290 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 438 Temperature: 1.200000 Total energy: -1338.409984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1338.409984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1338.409984 (E_RNA) where: Base-Base interactions energy: -813.166 where: short stacking energy: -390.567 Base-Backbone interact. energy: -0.541 local terms energy: -524.702584 where: bonds (distance) C4'-P energy: -117.465 bonds (distance) P-C4' energy: -128.925 flat angles C4'-P-C4' energy: -117.742 flat angles P-C4'-P energy: -66.156 tors. eta vs tors. theta energy: -94.414 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: 3 ===================================== Write number: 438 Temperature: 1.250000 Total energy: -694.560578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -694.560578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -694.560578 (E_RNA) where: Base-Base interactions energy: -296.952 where: short stacking energy: -193.110 Base-Backbone interact. energy: -2.312 local terms energy: -395.296544 where: bonds (distance) C4'-P energy: -126.096 bonds (distance) P-C4' energy: -108.061 flat angles C4'-P-C4' energy: -110.647 flat angles P-C4'-P energy: -45.879 tors. eta vs tors. theta energy: -4.613 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 438 Temperature: 1.300000 Total energy: -700.201625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -700.201625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -700.201625 (E_RNA) where: Base-Base interactions energy: -328.416 where: short stacking energy: -175.624 Base-Backbone interact. energy: -0.916 local terms energy: -370.870223 where: bonds (distance) C4'-P energy: -100.459 bonds (distance) P-C4' energy: -112.793 flat angles C4'-P-C4' energy: -104.965 flat angles P-C4'-P energy: -73.124 tors. eta vs tors. theta energy: 20.470 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 438 Temperature: 1.350000 Total energy: -510.717920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -510.717920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -510.717920 (E_RNA) where: Base-Base interactions energy: -153.382 where: short stacking energy: -106.176 Base-Backbone interact. energy: 5.511 local terms energy: -362.846766 where: bonds (distance) C4'-P energy: -99.422 bonds (distance) P-C4' energy: -121.365 flat angles C4'-P-C4' energy: -100.662 flat angles P-C4'-P energy: -64.046 tors. eta vs tors. theta energy: 22.648 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 439 Temperature: 0.900000 Total energy: -2305.894098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2305.894098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2305.894098 (E_RNA) where: Base-Base interactions energy: -1587.265 where: short stacking energy: -652.941 Base-Backbone interact. energy: 1.169 local terms energy: -719.797357 where: bonds (distance) C4'-P energy: -134.273 bonds (distance) P-C4' energy: -121.140 flat angles C4'-P-C4' energy: -155.646 flat angles P-C4'-P energy: -101.727 tors. eta vs tors. theta energy: -207.011 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 439 Temperature: 0.950000 Total energy: -2188.826316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2188.826316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2188.826316 (E_RNA) where: Base-Base interactions energy: -1483.622 where: short stacking energy: -626.810 Base-Backbone interact. energy: -1.600 local terms energy: -703.604334 where: bonds (distance) C4'-P energy: -111.792 bonds (distance) P-C4' energy: -128.092 flat angles C4'-P-C4' energy: -158.912 flat angles P-C4'-P energy: -96.831 tors. eta vs tors. theta energy: -207.977 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: 6 ===================================== Write number: 439 Temperature: 1.000000 Total energy: -2109.069373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2109.069373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2109.069373 (E_RNA) where: Base-Base interactions energy: -1410.632 where: short stacking energy: -611.847 Base-Backbone interact. energy: -2.020 local terms energy: -696.417037 where: bonds (distance) C4'-P energy: -131.027 bonds (distance) P-C4' energy: -133.147 flat angles C4'-P-C4' energy: -148.769 flat angles P-C4'-P energy: -91.489 tors. eta vs tors. theta energy: -191.985 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: 7 ===================================== Write number: 439 Temperature: 1.050000 Total energy: -2060.951454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2060.951454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2060.951454 (E_RNA) where: Base-Base interactions energy: -1398.738 where: short stacking energy: -587.928 Base-Backbone interact. energy: -2.517 local terms energy: -659.696602 where: bonds (distance) C4'-P energy: -119.258 bonds (distance) P-C4' energy: -127.247 flat angles C4'-P-C4' energy: -138.794 flat angles P-C4'-P energy: -90.995 tors. eta vs tors. theta energy: -183.403 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 439 Temperature: 1.100000 Total energy: -1831.844385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1831.844385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1831.844385 (E_RNA) where: Base-Base interactions energy: -1241.876 where: short stacking energy: -532.252 Base-Backbone interact. energy: -4.945 local terms energy: -585.023385 where: bonds (distance) C4'-P energy: -99.994 bonds (distance) P-C4' energy: -123.273 flat angles C4'-P-C4' energy: -122.220 flat angles P-C4'-P energy: -81.748 tors. eta vs tors. theta energy: -157.789 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 439 Temperature: 1.150000 Total energy: -1503.164732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1503.164732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1503.164732 (E_RNA) where: Base-Base interactions energy: -967.670 where: short stacking energy: -456.146 Base-Backbone interact. energy: -0.795 local terms energy: -534.699506 where: bonds (distance) C4'-P energy: -112.149 bonds (distance) P-C4' energy: -112.743 flat angles C4'-P-C4' energy: -131.215 flat angles P-C4'-P energy: -65.542 tors. eta vs tors. theta energy: -113.050 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 439 Temperature: 1.200000 Total energy: -1355.227073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1355.227073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1355.227073 (E_RNA) where: Base-Base interactions energy: -861.261 where: short stacking energy: -390.261 Base-Backbone interact. energy: -3.160 local terms energy: -490.805977 where: bonds (distance) C4'-P energy: -94.643 bonds (distance) P-C4' energy: -116.390 flat angles C4'-P-C4' energy: -110.297 flat angles P-C4'-P energy: -73.760 tors. eta vs tors. theta energy: -95.716 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: 9 ===================================== Write number: 439 Temperature: 1.250000 Total energy: -706.561447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -706.561447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -706.561447 (E_RNA) where: Base-Base interactions energy: -316.710 where: short stacking energy: -174.752 Base-Backbone interact. energy: -0.479 local terms energy: -389.372982 where: bonds (distance) C4'-P energy: -106.289 bonds (distance) P-C4' energy: -126.429 flat angles C4'-P-C4' energy: -84.320 flat angles P-C4'-P energy: -67.464 tors. eta vs tors. theta energy: -4.870 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 439 Temperature: 1.300000 Total energy: -635.445603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -635.445603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -635.445603 (E_RNA) where: Base-Base interactions energy: -278.110 where: short stacking energy: -169.316 Base-Backbone interact. energy: 0.582 local terms energy: -357.917649 where: bonds (distance) C4'-P energy: -114.281 bonds (distance) P-C4' energy: -113.401 flat angles C4'-P-C4' energy: -90.737 flat angles P-C4'-P energy: -48.061 tors. eta vs tors. theta energy: 8.563 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 439 Temperature: 1.350000 Total energy: -478.748509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -478.748509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -478.748509 (E_RNA) where: Base-Base interactions energy: -154.719 where: short stacking energy: -134.950 Base-Backbone interact. energy: 4.288 local terms energy: -328.317978 where: bonds (distance) C4'-P energy: -115.261 bonds (distance) P-C4' energy: -94.044 flat angles C4'-P-C4' energy: -100.137 flat angles P-C4'-P energy: -53.471 tors. eta vs tors. theta energy: 34.595 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 440 Temperature: 0.900000 Total energy: -2277.603931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2277.603931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2277.603931 (E_RNA) where: Base-Base interactions energy: -1568.752 where: short stacking energy: -650.320 Base-Backbone interact. energy: -2.643 local terms energy: -706.208459 where: bonds (distance) C4'-P energy: -121.798 bonds (distance) P-C4' energy: -126.867 flat angles C4'-P-C4' energy: -154.992 flat angles P-C4'-P energy: -99.294 tors. eta vs tors. theta energy: -203.258 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: 2 ===================================== Write number: 440 Temperature: 0.950000 Total energy: -2194.739033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2194.739033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2194.739033 (E_RNA) where: Base-Base interactions energy: -1505.551 where: short stacking energy: -623.039 Base-Backbone interact. energy: 3.841 local terms energy: -693.028961 where: bonds (distance) C4'-P energy: -108.547 bonds (distance) P-C4' energy: -140.360 flat angles C4'-P-C4' energy: -142.009 flat angles P-C4'-P energy: -99.520 tors. eta vs tors. theta energy: -202.592 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: 7 ===================================== Write number: 440 Temperature: 1.000000 Total energy: -2119.072348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2119.072348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2119.072348 (E_RNA) where: Base-Base interactions energy: -1439.718 where: short stacking energy: -608.076 Base-Backbone interact. energy: -0.676 local terms energy: -678.678903 where: bonds (distance) C4'-P energy: -105.608 bonds (distance) P-C4' energy: -118.324 flat angles C4'-P-C4' energy: -146.416 flat angles P-C4'-P energy: -110.485 tors. eta vs tors. theta energy: -197.846 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: 6 ===================================== Write number: 440 Temperature: 1.050000 Total energy: -2061.096446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2061.096446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2061.096446 (E_RNA) where: Base-Base interactions energy: -1380.367 where: short stacking energy: -606.161 Base-Backbone interact. energy: -0.705 local terms energy: -680.025034 where: bonds (distance) C4'-P energy: -131.148 bonds (distance) P-C4' energy: -122.694 flat angles C4'-P-C4' energy: -132.105 flat angles P-C4'-P energy: -105.928 tors. eta vs tors. theta energy: -188.150 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: 5 ===================================== Write number: 440 Temperature: 1.100000 Total energy: -1879.743020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1879.743020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1879.743020 (E_RNA) where: Base-Base interactions energy: -1237.692 where: short stacking energy: -530.715 Base-Backbone interact. energy: -3.007 local terms energy: -639.044031 where: bonds (distance) C4'-P energy: -110.712 bonds (distance) P-C4' energy: -118.105 flat angles C4'-P-C4' energy: -136.281 flat angles P-C4'-P energy: -91.784 tors. eta vs tors. theta energy: -182.162 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: 10 ===================================== Write number: 440 Temperature: 1.150000 Total energy: -1486.003718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1486.003718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1486.003718 (E_RNA) where: Base-Base interactions energy: -956.769 where: short stacking energy: -428.347 Base-Backbone interact. energy: -2.108 local terms energy: -527.126444 where: bonds (distance) C4'-P energy: -118.750 bonds (distance) P-C4' energy: -105.799 flat angles C4'-P-C4' energy: -118.325 flat angles P-C4'-P energy: -75.955 tors. eta vs tors. theta energy: -108.297 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 440 Temperature: 1.200000 Total energy: -1345.057525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1345.057525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1345.057525 (E_RNA) where: Base-Base interactions energy: -842.709 where: short stacking energy: -367.761 Base-Backbone interact. energy: -1.833 local terms energy: -500.514819 where: bonds (distance) C4'-P energy: -103.456 bonds (distance) P-C4' energy: -127.157 flat angles C4'-P-C4' energy: -112.615 flat angles P-C4'-P energy: -75.778 tors. eta vs tors. theta energy: -81.509 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 440 Temperature: 1.250000 Total energy: -734.889873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -734.889873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -734.889873 (E_RNA) where: Base-Base interactions energy: -318.609 where: short stacking energy: -202.800 Base-Backbone interact. energy: -0.181 local terms energy: -416.100163 where: bonds (distance) C4'-P energy: -101.641 bonds (distance) P-C4' energy: -136.406 flat angles C4'-P-C4' energy: -106.464 flat angles P-C4'-P energy: -54.371 tors. eta vs tors. theta energy: -17.217 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 440 Temperature: 1.300000 Total energy: -663.628904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -663.628904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -663.628904 (E_RNA) where: Base-Base interactions energy: -280.225 where: short stacking energy: -181.166 Base-Backbone interact. energy: 0.014 local terms energy: -383.418567 where: bonds (distance) C4'-P energy: -116.054 bonds (distance) P-C4' energy: -119.310 flat angles C4'-P-C4' energy: -104.419 flat angles P-C4'-P energy: -39.652 tors. eta vs tors. theta energy: -3.984 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 440 Temperature: 1.350000 Total energy: -507.670751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -507.670751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -507.670751 (E_RNA) where: Base-Base interactions energy: -162.508 where: short stacking energy: -160.129 Base-Backbone interact. energy: -1.571 local terms energy: -343.591169 where: bonds (distance) C4'-P energy: -115.308 bonds (distance) P-C4' energy: -112.502 flat angles C4'-P-C4' energy: -80.561 flat angles P-C4'-P energy: -51.829 tors. eta vs tors. theta energy: 16.608 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: 8 ===================================== Write number: 441 Temperature: 0.900000 Total energy: -2292.061581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2292.061581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2292.061581 (E_RNA) where: Base-Base interactions energy: -1573.318 where: short stacking energy: -638.361 Base-Backbone interact. energy: -2.713 local terms energy: -716.030338 where: bonds (distance) C4'-P energy: -114.256 bonds (distance) P-C4' energy: -134.812 flat angles C4'-P-C4' energy: -146.345 flat angles P-C4'-P energy: -112.935 tors. eta vs tors. theta energy: -207.683 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: 2 ===================================== Write number: 441 Temperature: 0.950000 Total energy: -2202.036044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2202.036044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2202.036044 (E_RNA) where: Base-Base interactions energy: -1497.518 where: short stacking energy: -628.885 Base-Backbone interact. energy: 0.166 local terms energy: -704.683939 where: bonds (distance) C4'-P energy: -118.632 bonds (distance) P-C4' energy: -132.592 flat angles C4'-P-C4' energy: -152.199 flat angles P-C4'-P energy: -96.948 tors. eta vs tors. theta energy: -204.313 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 441 Temperature: 1.000000 Total energy: -2068.799460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2068.799460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2068.799460 (E_RNA) where: Base-Base interactions energy: -1398.821 where: short stacking energy: -610.099 Base-Backbone interact. energy: 2.161 local terms energy: -672.139569 where: bonds (distance) C4'-P energy: -128.384 bonds (distance) P-C4' energy: -130.322 flat angles C4'-P-C4' energy: -145.728 flat angles P-C4'-P energy: -86.003 tors. eta vs tors. theta energy: -181.702 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 441 Temperature: 1.050000 Total energy: -2072.806743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2072.806743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2072.806743 (E_RNA) where: Base-Base interactions energy: -1403.181 where: short stacking energy: -576.472 Base-Backbone interact. energy: -1.048 local terms energy: -668.578349 where: bonds (distance) C4'-P energy: -118.110 bonds (distance) P-C4' energy: -136.517 flat angles C4'-P-C4' energy: -130.055 flat angles P-C4'-P energy: -93.849 tors. eta vs tors. theta energy: -190.047 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: 441 Temperature: 1.100000 Total energy: -1837.981225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1837.981225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1837.981225 (E_RNA) where: Base-Base interactions energy: -1224.604 where: short stacking energy: -521.454 Base-Backbone interact. energy: 0.335 local terms energy: -613.712977 where: bonds (distance) C4'-P energy: -102.944 bonds (distance) P-C4' energy: -118.122 flat angles C4'-P-C4' energy: -138.921 flat angles P-C4'-P energy: -89.509 tors. eta vs tors. theta energy: -164.217 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 441 Temperature: 1.150000 Total energy: -1578.263546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1578.263546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1578.263546 (E_RNA) where: Base-Base interactions energy: -1022.732 where: short stacking energy: -456.103 Base-Backbone interact. energy: -4.264 local terms energy: -551.268236 where: bonds (distance) C4'-P energy: -115.832 bonds (distance) P-C4' energy: -122.451 flat angles C4'-P-C4' energy: -113.799 flat angles P-C4'-P energy: -82.668 tors. eta vs tors. theta energy: -116.519 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 441 Temperature: 1.200000 Total energy: -1343.558428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1343.558428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1343.558428 (E_RNA) where: Base-Base interactions energy: -859.575 where: short stacking energy: -358.705 Base-Backbone interact. energy: 3.351 local terms energy: -487.334253 where: bonds (distance) C4'-P energy: -112.330 bonds (distance) P-C4' energy: -115.287 flat angles C4'-P-C4' energy: -111.546 flat angles P-C4'-P energy: -63.380 tors. eta vs tors. theta energy: -84.792 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 441 Temperature: 1.250000 Total energy: -760.376603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -760.376603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -760.376603 (E_RNA) where: Base-Base interactions energy: -348.833 where: short stacking energy: -209.395 Base-Backbone interact. energy: 0.571 local terms energy: -412.113947 where: bonds (distance) C4'-P energy: -134.885 bonds (distance) P-C4' energy: -112.277 flat angles C4'-P-C4' energy: -92.373 flat angles P-C4'-P energy: -55.003 tors. eta vs tors. theta energy: -17.575 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 441 Temperature: 1.300000 Total energy: -624.607899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -624.607899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -624.607899 (E_RNA) where: Base-Base interactions energy: -276.062 where: short stacking energy: -190.036 Base-Backbone interact. energy: 6.041 local terms energy: -354.586655 where: bonds (distance) C4'-P energy: -97.219 bonds (distance) P-C4' energy: -117.089 flat angles C4'-P-C4' energy: -80.300 flat angles P-C4'-P energy: -60.525 tors. eta vs tors. theta energy: 0.547 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: 441 Temperature: 1.350000 Total energy: -508.226093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -508.226093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -508.226093 (E_RNA) where: Base-Base interactions energy: -180.008 where: short stacking energy: -144.879 Base-Backbone interact. energy: -1.400 local terms energy: -326.817503 where: bonds (distance) C4'-P energy: -92.946 bonds (distance) P-C4' energy: -117.730 flat angles C4'-P-C4' energy: -78.000 flat angles P-C4'-P energy: -61.655 tors. eta vs tors. theta energy: 23.512 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 442 Temperature: 0.900000 Total energy: -2321.896993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2321.896993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2321.896993 (E_RNA) where: Base-Base interactions energy: -1589.341 where: short stacking energy: -670.930 Base-Backbone interact. energy: -0.628 local terms energy: -731.927914 where: bonds (distance) C4'-P energy: -140.153 bonds (distance) P-C4' energy: -150.613 flat angles C4'-P-C4' energy: -138.164 flat angles P-C4'-P energy: -92.774 tors. eta vs tors. theta energy: -210.225 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 442 Temperature: 0.950000 Total energy: -2185.518083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2185.518083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2185.518083 (E_RNA) where: Base-Base interactions energy: -1482.544 where: short stacking energy: -618.295 Base-Backbone interact. energy: -0.952 local terms energy: -702.021955 where: bonds (distance) C4'-P energy: -137.666 bonds (distance) P-C4' energy: -124.732 flat angles C4'-P-C4' energy: -137.084 flat angles P-C4'-P energy: -93.631 tors. eta vs tors. theta energy: -208.909 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: 7 ===================================== Write number: 442 Temperature: 1.000000 Total energy: -2144.764438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2144.764438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2144.764438 (E_RNA) where: Base-Base interactions energy: -1436.047 where: short stacking energy: -613.998 Base-Backbone interact. energy: -3.257 local terms energy: -705.460810 where: bonds (distance) C4'-P energy: -120.345 bonds (distance) P-C4' energy: -122.548 flat angles C4'-P-C4' energy: -162.932 flat angles P-C4'-P energy: -100.943 tors. eta vs tors. theta energy: -198.693 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: 6 ===================================== Write number: 442 Temperature: 1.050000 Total energy: -2038.862524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2038.862524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2038.862524 (E_RNA) where: Base-Base interactions energy: -1395.930 where: short stacking energy: -570.232 Base-Backbone interact. energy: -0.640 local terms energy: -642.292555 where: bonds (distance) C4'-P energy: -115.175 bonds (distance) P-C4' energy: -132.294 flat angles C4'-P-C4' energy: -136.711 flat angles P-C4'-P energy: -86.898 tors. eta vs tors. theta energy: -171.214 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 442 Temperature: 1.100000 Total energy: -1882.787706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1882.787706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1882.787706 (E_RNA) where: Base-Base interactions energy: -1265.063 where: short stacking energy: -525.251 Base-Backbone interact. energy: -1.836 local terms energy: -615.889132 where: bonds (distance) C4'-P energy: -119.868 bonds (distance) P-C4' energy: -105.986 flat angles C4'-P-C4' energy: -133.908 flat angles P-C4'-P energy: -87.264 tors. eta vs tors. theta energy: -168.864 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: 10 ===================================== Write number: 442 Temperature: 1.150000 Total energy: -1575.907951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1575.907951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1575.907951 (E_RNA) where: Base-Base interactions energy: -1020.976 where: short stacking energy: -449.133 Base-Backbone interact. energy: -0.545 local terms energy: -554.387790 where: bonds (distance) C4'-P energy: -111.315 bonds (distance) P-C4' energy: -108.554 flat angles C4'-P-C4' energy: -123.241 flat angles P-C4'-P energy: -75.894 tors. eta vs tors. theta energy: -135.383 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 442 Temperature: 1.200000 Total energy: -1286.053187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1286.053187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1286.053187 (E_RNA) where: Base-Base interactions energy: -790.113 where: short stacking energy: -333.085 Base-Backbone interact. energy: -2.538 local terms energy: -493.401860 where: bonds (distance) C4'-P energy: -108.848 bonds (distance) P-C4' energy: -132.621 flat angles C4'-P-C4' energy: -116.162 flat angles P-C4'-P energy: -66.453 tors. eta vs tors. theta energy: -69.317 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: 9 ===================================== Write number: 442 Temperature: 1.250000 Total energy: -793.857055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -793.857055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -793.857055 (E_RNA) where: Base-Base interactions energy: -407.096 where: short stacking energy: -210.234 Base-Backbone interact. energy: -0.996 local terms energy: -385.765492 where: bonds (distance) C4'-P energy: -105.458 bonds (distance) P-C4' energy: -128.380 flat angles C4'-P-C4' energy: -105.209 flat angles P-C4'-P energy: -46.796 tors. eta vs tors. theta energy: 0.077 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: 4 ===================================== Write number: 442 Temperature: 1.300000 Total energy: -541.894829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -541.894829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -541.894829 (E_RNA) where: Base-Base interactions energy: -180.237 where: short stacking energy: -137.205 Base-Backbone interact. energy: -2.492 local terms energy: -359.166073 where: bonds (distance) C4'-P energy: -112.604 bonds (distance) P-C4' energy: -124.715 flat angles C4'-P-C4' energy: -93.480 flat angles P-C4'-P energy: -53.339 tors. eta vs tors. theta energy: 24.972 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 442 Temperature: 1.350000 Total energy: -603.826217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -603.826217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -603.826217 (E_RNA) where: Base-Base interactions energy: -271.873 where: short stacking energy: -159.157 Base-Backbone interact. energy: 1.303 local terms energy: -333.256252 where: bonds (distance) C4'-P energy: -112.570 bonds (distance) P-C4' energy: -103.710 flat angles C4'-P-C4' energy: -76.661 flat angles P-C4'-P energy: -71.275 tors. eta vs tors. theta energy: 30.960 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 443 Temperature: 0.900000 Total energy: -2303.672445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2303.672445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2303.672445 (E_RNA) where: Base-Base interactions energy: -1566.294 where: short stacking energy: -666.319 Base-Backbone interact. energy: -3.053 local terms energy: -734.325542 where: bonds (distance) C4'-P energy: -125.157 bonds (distance) P-C4' energy: -135.136 flat angles C4'-P-C4' energy: -155.458 flat angles P-C4'-P energy: -108.681 tors. eta vs tors. theta energy: -209.894 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 443 Temperature: 0.950000 Total energy: -2174.532152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2174.532152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2174.532152 (E_RNA) where: Base-Base interactions energy: -1458.861 where: short stacking energy: -640.554 Base-Backbone interact. energy: -1.601 local terms energy: -714.069793 where: bonds (distance) C4'-P energy: -138.215 bonds (distance) P-C4' energy: -124.151 flat angles C4'-P-C4' energy: -154.592 flat angles P-C4'-P energy: -97.833 tors. eta vs tors. theta energy: -199.280 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: 2 ===================================== Write number: 443 Temperature: 1.000000 Total energy: -2115.868967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2115.868967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2115.868967 (E_RNA) where: Base-Base interactions energy: -1448.074 where: short stacking energy: -588.643 Base-Backbone interact. energy: -0.178 local terms energy: -667.616625 where: bonds (distance) C4'-P energy: -128.686 bonds (distance) P-C4' energy: -116.318 flat angles C4'-P-C4' energy: -142.351 flat angles P-C4'-P energy: -92.322 tors. eta vs tors. theta energy: -187.940 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 443 Temperature: 1.050000 Total energy: -2030.891670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2030.891670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2030.891670 (E_RNA) where: Base-Base interactions energy: -1393.337 where: short stacking energy: -585.574 Base-Backbone interact. energy: -0.850 local terms energy: -636.705329 where: bonds (distance) C4'-P energy: -126.554 bonds (distance) P-C4' energy: -107.291 flat angles C4'-P-C4' energy: -140.005 flat angles P-C4'-P energy: -76.113 tors. eta vs tors. theta energy: -186.742 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 443 Temperature: 1.100000 Total energy: -1890.897925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1890.897925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1890.897925 (E_RNA) where: Base-Base interactions energy: -1284.377 where: short stacking energy: -545.836 Base-Backbone interact. energy: -2.373 local terms energy: -604.148643 where: bonds (distance) C4'-P energy: -116.973 bonds (distance) P-C4' energy: -107.072 flat angles C4'-P-C4' energy: -138.180 flat angles P-C4'-P energy: -76.349 tors. eta vs tors. theta energy: -165.574 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: 6, replica: 10 ===================================== Write number: 443 Temperature: 1.150000 Total energy: -1608.477921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1608.477921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1608.477921 (E_RNA) where: Base-Base interactions energy: -1053.917 where: short stacking energy: -437.594 Base-Backbone interact. energy: -0.739 local terms energy: -553.821630 where: bonds (distance) C4'-P energy: -108.356 bonds (distance) P-C4' energy: -107.172 flat angles C4'-P-C4' energy: -141.827 flat angles P-C4'-P energy: -57.642 tors. eta vs tors. theta energy: -138.825 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 443 Temperature: 1.200000 Total energy: -1303.662963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1303.662963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1303.662963 (E_RNA) where: Base-Base interactions energy: -847.417 where: short stacking energy: -346.252 Base-Backbone interact. energy: -0.975 local terms energy: -455.271126 where: bonds (distance) C4'-P energy: -109.832 bonds (distance) P-C4' energy: -105.143 flat angles C4'-P-C4' energy: -98.824 flat angles P-C4'-P energy: -83.450 tors. eta vs tors. theta energy: -58.022 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 443 Temperature: 1.250000 Total energy: -819.262949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -819.262949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -819.262949 (E_RNA) where: Base-Base interactions energy: -388.025 where: short stacking energy: -231.358 Base-Backbone interact. energy: -2.447 local terms energy: -428.790503 where: bonds (distance) C4'-P energy: -116.790 bonds (distance) P-C4' energy: -109.726 flat angles C4'-P-C4' energy: -98.646 flat angles P-C4'-P energy: -62.136 tors. eta vs tors. theta energy: -41.491 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: 4 ===================================== Write number: 443 Temperature: 1.300000 Total energy: -573.801281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -573.801281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -573.801281 (E_RNA) where: Base-Base interactions energy: -196.626 where: short stacking energy: -135.990 Base-Backbone interact. energy: 3.387 local terms energy: -380.561748 where: bonds (distance) C4'-P energy: -119.230 bonds (distance) P-C4' energy: -117.931 flat angles C4'-P-C4' energy: -92.073 flat angles P-C4'-P energy: -63.589 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: 3 ===================================== Write number: 443 Temperature: 1.350000 Total energy: -649.478860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -649.478860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -649.478860 (E_RNA) where: Base-Base interactions energy: -311.558 where: short stacking energy: -161.380 Base-Backbone interact. energy: 7.072 local terms energy: -344.992549 where: bonds (distance) C4'-P energy: -92.386 bonds (distance) P-C4' energy: -119.158 flat angles C4'-P-C4' energy: -91.871 flat angles P-C4'-P energy: -60.207 tors. eta vs tors. theta energy: 18.630 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: 8 ===================================== Write number: 444 Temperature: 0.900000 Total energy: -2321.409621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2321.409621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2321.409621 (E_RNA) where: Base-Base interactions energy: -1567.300 where: short stacking energy: -637.162 Base-Backbone interact. energy: -1.398 local terms energy: -752.711698 where: bonds (distance) C4'-P energy: -145.285 bonds (distance) P-C4' energy: -144.300 flat angles C4'-P-C4' energy: -152.094 flat angles P-C4'-P energy: -99.968 tors. eta vs tors. theta energy: -211.064 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: 2, replica: 7 ===================================== Write number: 444 Temperature: 0.950000 Total energy: -2168.898281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2168.898281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2168.898281 (E_RNA) where: Base-Base interactions energy: -1450.438 where: short stacking energy: -599.185 Base-Backbone interact. energy: -1.165 local terms energy: -717.295417 where: bonds (distance) C4'-P energy: -123.935 bonds (distance) P-C4' energy: -147.042 flat angles C4'-P-C4' energy: -148.039 flat angles P-C4'-P energy: -103.395 tors. eta vs tors. theta energy: -194.886 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 444 Temperature: 1.000000 Total energy: -2072.657529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2072.657529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2072.657529 (E_RNA) where: Base-Base interactions energy: -1402.961 where: short stacking energy: -591.379 Base-Backbone interact. energy: -1.843 local terms energy: -667.852973 where: bonds (distance) C4'-P energy: -125.317 bonds (distance) P-C4' energy: -127.302 flat angles C4'-P-C4' energy: -145.143 flat angles P-C4'-P energy: -84.002 tors. eta vs tors. theta energy: -186.089 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: 6 ===================================== Write number: 444 Temperature: 1.050000 Total energy: -2041.005572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2041.005572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2041.005572 (E_RNA) where: Base-Base interactions energy: -1368.046 where: short stacking energy: -590.434 Base-Backbone interact. energy: -1.691 local terms energy: -671.269206 where: bonds (distance) C4'-P energy: -104.715 bonds (distance) P-C4' energy: -140.516 flat angles C4'-P-C4' energy: -137.448 flat angles P-C4'-P energy: -95.864 tors. eta vs tors. theta energy: -192.726 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 444 Temperature: 1.100000 Total energy: -1960.565270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1960.565270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1960.565270 (E_RNA) where: Base-Base interactions energy: -1314.366 where: short stacking energy: -546.715 Base-Backbone interact. energy: -2.462 local terms energy: -643.737430 where: bonds (distance) C4'-P energy: -113.646 bonds (distance) P-C4' energy: -121.850 flat angles C4'-P-C4' energy: -132.794 flat angles P-C4'-P energy: -95.797 tors. eta vs tors. theta energy: -179.650 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 444 Temperature: 1.150000 Total energy: -1532.404703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1532.404703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1532.404703 (E_RNA) where: Base-Base interactions energy: -1017.636 where: short stacking energy: -426.878 Base-Backbone interact. energy: 5.050 local terms energy: -519.817824 where: bonds (distance) C4'-P energy: -120.473 bonds (distance) P-C4' energy: -114.740 flat angles C4'-P-C4' energy: -105.613 flat angles P-C4'-P energy: -65.995 tors. eta vs tors. theta energy: -112.997 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 444 Temperature: 1.200000 Total energy: -1443.410997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1443.410997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1443.410997 (E_RNA) where: Base-Base interactions energy: -932.155 where: short stacking energy: -396.955 Base-Backbone interact. energy: 2.186 local terms energy: -513.442223 where: bonds (distance) C4'-P energy: -98.507 bonds (distance) P-C4' energy: -115.661 flat angles C4'-P-C4' energy: -129.514 flat angles P-C4'-P energy: -80.025 tors. eta vs tors. theta energy: -89.736 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: 9 ===================================== Write number: 444 Temperature: 1.250000 Total energy: -855.413864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -855.413864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -855.413864 (E_RNA) where: Base-Base interactions energy: -440.810 where: short stacking energy: -239.676 Base-Backbone interact. energy: 0.805 local terms energy: -415.409040 where: bonds (distance) C4'-P energy: -87.811 bonds (distance) P-C4' energy: -131.023 flat angles C4'-P-C4' energy: -101.541 flat angles P-C4'-P energy: -77.640 tors. eta vs tors. theta energy: -17.394 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 444 Temperature: 1.300000 Total energy: -641.136846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -641.136846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -641.136846 (E_RNA) where: Base-Base interactions energy: -264.021 where: short stacking energy: -160.289 Base-Backbone interact. energy: 5.630 local terms energy: -382.745797 where: bonds (distance) C4'-P energy: -103.395 bonds (distance) P-C4' energy: -131.187 flat angles C4'-P-C4' energy: -80.409 flat angles P-C4'-P energy: -72.263 tors. eta vs tors. theta energy: 4.508 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 444 Temperature: 1.350000 Total energy: -504.542611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -504.542611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -504.542611 (E_RNA) where: Base-Base interactions energy: -185.918 where: short stacking energy: -115.204 Base-Backbone interact. energy: 0.293 local terms energy: -318.917315 where: bonds (distance) C4'-P energy: -101.835 bonds (distance) P-C4' energy: -118.627 flat angles C4'-P-C4' energy: -77.339 flat angles P-C4'-P energy: -57.709 tors. eta vs tors. theta energy: 36.592 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 445 Temperature: 0.900000 Total energy: -2291.596210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2291.596210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2291.596210 (E_RNA) where: Base-Base interactions energy: -1578.789 where: short stacking energy: -631.218 Base-Backbone interact. energy: 1.254 local terms energy: -714.061692 where: bonds (distance) C4'-P energy: -125.671 bonds (distance) P-C4' energy: -132.090 flat angles C4'-P-C4' energy: -155.152 flat angles P-C4'-P energy: -94.082 tors. eta vs tors. theta energy: -207.066 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: 7 ===================================== Write number: 445 Temperature: 0.950000 Total energy: -2187.552473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2187.552473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2187.552473 (E_RNA) where: Base-Base interactions energy: -1464.630 where: short stacking energy: -618.653 Base-Backbone interact. energy: -1.031 local terms energy: -721.891195 where: bonds (distance) C4'-P energy: -134.756 bonds (distance) P-C4' energy: -125.083 flat angles C4'-P-C4' energy: -150.590 flat angles P-C4'-P energy: -103.207 tors. eta vs tors. theta energy: -208.255 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: 2 ===================================== Write number: 445 Temperature: 1.000000 Total energy: -2115.826634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2115.826634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2115.826634 (E_RNA) where: Base-Base interactions energy: -1471.387 where: short stacking energy: -599.828 Base-Backbone interact. energy: -0.500 local terms energy: -643.939204 where: bonds (distance) C4'-P energy: -126.901 bonds (distance) P-C4' energy: -103.759 flat angles C4'-P-C4' energy: -133.752 flat angles P-C4'-P energy: -87.892 tors. eta vs tors. theta energy: -191.635 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 445 Temperature: 1.050000 Total energy: -1946.389250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1946.389250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1946.389250 (E_RNA) where: Base-Base interactions energy: -1313.259 where: short stacking energy: -565.138 Base-Backbone interact. energy: -1.398 local terms energy: -631.732868 where: bonds (distance) C4'-P energy: -118.291 bonds (distance) P-C4' energy: -125.242 flat angles C4'-P-C4' energy: -132.903 flat angles P-C4'-P energy: -83.652 tors. eta vs tors. theta energy: -171.644 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 445 Temperature: 1.100000 Total energy: -1994.776479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1994.776479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1994.776479 (E_RNA) where: Base-Base interactions energy: -1314.797 where: short stacking energy: -547.922 Base-Backbone interact. energy: -0.557 local terms energy: -679.422155 where: bonds (distance) C4'-P energy: -124.516 bonds (distance) P-C4' energy: -125.495 flat angles C4'-P-C4' energy: -151.112 flat angles P-C4'-P energy: -100.649 tors. eta vs tors. theta energy: -177.650 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 445 Temperature: 1.150000 Total energy: -1526.914691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1526.914691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1526.914691 (E_RNA) where: Base-Base interactions energy: -958.258 where: short stacking energy: -433.914 Base-Backbone interact. energy: -0.098 local terms energy: -568.558388 where: bonds (distance) C4'-P energy: -119.249 bonds (distance) P-C4' energy: -122.499 flat angles C4'-P-C4' energy: -123.848 flat angles P-C4'-P energy: -82.104 tors. eta vs tors. theta energy: -120.858 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: 1 ===================================== Write number: 445 Temperature: 1.200000 Total energy: -1329.269285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1329.269285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1329.269285 (E_RNA) where: Base-Base interactions energy: -863.111 where: short stacking energy: -375.367 Base-Backbone interact. energy: -1.421 local terms energy: -464.736764 where: bonds (distance) C4'-P energy: -107.526 bonds (distance) P-C4' energy: -104.087 flat angles C4'-P-C4' energy: -107.954 flat angles P-C4'-P energy: -68.414 tors. eta vs tors. theta energy: -76.755 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 445 Temperature: 1.250000 Total energy: -801.943398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -801.943398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -801.943398 (E_RNA) where: Base-Base interactions energy: -368.010 where: short stacking energy: -230.175 Base-Backbone interact. energy: -1.157 local terms energy: -432.776454 where: bonds (distance) C4'-P energy: -103.844 bonds (distance) P-C4' energy: -129.516 flat angles C4'-P-C4' energy: -109.459 flat angles P-C4'-P energy: -65.675 tors. eta vs tors. theta energy: -24.282 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: 3 ===================================== Write number: 445 Temperature: 1.300000 Total energy: -672.391832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -672.391832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -672.391832 (E_RNA) where: Base-Base interactions energy: -326.361 where: short stacking energy: -180.864 Base-Backbone interact. energy: -5.312 local terms energy: -340.718403 where: bonds (distance) C4'-P energy: -113.557 bonds (distance) P-C4' energy: -117.598 flat angles C4'-P-C4' energy: -82.440 flat angles P-C4'-P energy: -40.275 tors. eta vs tors. theta energy: 13.152 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: 4 ===================================== Write number: 445 Temperature: 1.350000 Total energy: -568.531396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -568.531396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -568.531396 (E_RNA) where: Base-Base interactions energy: -227.316 where: short stacking energy: -158.910 Base-Backbone interact. energy: 0.789 local terms energy: -342.004970 where: bonds (distance) C4'-P energy: -109.041 bonds (distance) P-C4' energy: -123.138 flat angles C4'-P-C4' energy: -93.431 flat angles P-C4'-P energy: -56.523 tors. eta vs tors. theta energy: 40.128 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 446 Temperature: 0.900000 Total energy: -2287.117047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2287.117047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2287.117047 (E_RNA) where: Base-Base interactions energy: -1557.176 where: short stacking energy: -640.610 Base-Backbone interact. energy: -0.095 local terms energy: -729.845310 where: bonds (distance) C4'-P energy: -137.672 bonds (distance) P-C4' energy: -122.218 flat angles C4'-P-C4' energy: -151.901 flat angles P-C4'-P energy: -103.524 tors. eta vs tors. theta energy: -214.530 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: 7 ===================================== Write number: 446 Temperature: 0.950000 Total energy: -2187.963124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2187.963124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2187.963124 (E_RNA) where: Base-Base interactions energy: -1471.697 where: short stacking energy: -634.344 Base-Backbone interact. energy: -3.220 local terms energy: -713.045707 where: bonds (distance) C4'-P energy: -134.362 bonds (distance) P-C4' energy: -126.187 flat angles C4'-P-C4' energy: -139.412 flat angles P-C4'-P energy: -97.332 tors. eta vs tors. theta energy: -215.753 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: 2 ===================================== Write number: 446 Temperature: 1.000000 Total energy: -2108.727930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2108.727930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2108.727930 (E_RNA) where: Base-Base interactions energy: -1440.609 where: short stacking energy: -594.009 Base-Backbone interact. energy: -2.386 local terms energy: -665.732307 where: bonds (distance) C4'-P energy: -118.854 bonds (distance) P-C4' energy: -138.398 flat angles C4'-P-C4' energy: -135.724 flat angles P-C4'-P energy: -87.471 tors. eta vs tors. theta energy: -185.285 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 446 Temperature: 1.050000 Total energy: -1977.450920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1977.450920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1977.450920 (E_RNA) where: Base-Base interactions energy: -1327.338 where: short stacking energy: -561.883 Base-Backbone interact. energy: -2.784 local terms energy: -647.328905 where: bonds (distance) C4'-P energy: -119.797 bonds (distance) P-C4' energy: -122.325 flat angles C4'-P-C4' energy: -135.288 flat angles P-C4'-P energy: -87.519 tors. eta vs tors. theta energy: -182.401 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 446 Temperature: 1.100000 Total energy: -1963.162396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1963.162396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1963.162396 (E_RNA) where: Base-Base interactions energy: -1334.506 where: short stacking energy: -565.113 Base-Backbone interact. energy: -2.475 local terms energy: -626.181773 where: bonds (distance) C4'-P energy: -113.583 bonds (distance) P-C4' energy: -125.053 flat angles C4'-P-C4' energy: -125.595 flat angles P-C4'-P energy: -84.671 tors. eta vs tors. theta energy: -177.280 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 446 Temperature: 1.150000 Total energy: -1583.458370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1583.458370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1583.458370 (E_RNA) where: Base-Base interactions energy: -1059.863 where: short stacking energy: -477.892 Base-Backbone interact. energy: -1.204 local terms energy: -522.391355 where: bonds (distance) C4'-P energy: -94.783 bonds (distance) P-C4' energy: -95.030 flat angles C4'-P-C4' energy: -129.616 flat angles P-C4'-P energy: -74.820 tors. eta vs tors. theta energy: -128.143 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: 1 ===================================== Write number: 446 Temperature: 1.200000 Total energy: -1314.935579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1314.935579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1314.935579 (E_RNA) where: Base-Base interactions energy: -824.426 where: short stacking energy: -376.023 Base-Backbone interact. energy: -3.766 local terms energy: -486.744241 where: bonds (distance) C4'-P energy: -112.081 bonds (distance) P-C4' energy: -104.462 flat angles C4'-P-C4' energy: -108.986 flat angles P-C4'-P energy: -81.402 tors. eta vs tors. theta energy: -79.813 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: 8, replica: 9 ===================================== Write number: 446 Temperature: 1.250000 Total energy: -767.824649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -767.824649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -767.824649 (E_RNA) where: Base-Base interactions energy: -373.505 where: short stacking energy: -231.173 Base-Backbone interact. energy: 3.419 local terms energy: -397.739183 where: bonds (distance) C4'-P energy: -94.334 bonds (distance) P-C4' energy: -115.564 flat angles C4'-P-C4' energy: -103.575 flat angles P-C4'-P energy: -70.264 tors. eta vs tors. theta energy: -14.001 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: 3 ===================================== Write number: 446 Temperature: 1.300000 Total energy: -658.592777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -658.592777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -658.592777 (E_RNA) where: Base-Base interactions energy: -280.231 where: short stacking energy: -147.774 Base-Backbone interact. energy: 5.353 local terms energy: -383.713992 where: bonds (distance) C4'-P energy: -115.337 bonds (distance) P-C4' energy: -119.557 flat angles C4'-P-C4' energy: -104.559 flat angles P-C4'-P energy: -55.126 tors. eta vs tors. theta energy: 10.865 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: 4 ===================================== Write number: 446 Temperature: 1.350000 Total energy: -488.865899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -488.865899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -488.865899 (E_RNA) where: Base-Base interactions energy: -157.121 where: short stacking energy: -118.547 Base-Backbone interact. energy: -2.923 local terms energy: -328.821770 where: bonds (distance) C4'-P energy: -83.075 bonds (distance) P-C4' energy: -113.383 flat angles C4'-P-C4' energy: -103.325 flat angles P-C4'-P energy: -40.223 tors. eta vs tors. theta energy: 11.184 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 447 Temperature: 0.900000 Total energy: -2273.688879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2273.688879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2273.688879 (E_RNA) where: Base-Base interactions energy: -1546.264 where: short stacking energy: -629.264 Base-Backbone interact. energy: -2.088 local terms energy: -725.336350 where: bonds (distance) C4'-P energy: -147.495 bonds (distance) P-C4' energy: -136.541 flat angles C4'-P-C4' energy: -149.560 flat angles P-C4'-P energy: -95.336 tors. eta vs tors. theta energy: -196.403 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: 2 ===================================== Write number: 447 Temperature: 0.950000 Total energy: -2195.797349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2195.797349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2195.797349 (E_RNA) where: Base-Base interactions energy: -1482.609 where: short stacking energy: -605.729 Base-Backbone interact. energy: -2.336 local terms energy: -710.852298 where: bonds (distance) C4'-P energy: -146.220 bonds (distance) P-C4' energy: -124.184 flat angles C4'-P-C4' energy: -152.194 flat angles P-C4'-P energy: -89.929 tors. eta vs tors. theta energy: -198.326 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: 7 ===================================== Write number: 447 Temperature: 1.000000 Total energy: -2117.258022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2117.258022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2117.258022 (E_RNA) where: Base-Base interactions energy: -1420.383 where: short stacking energy: -599.686 Base-Backbone interact. energy: 0.762 local terms energy: -697.636569 where: bonds (distance) C4'-P energy: -113.193 bonds (distance) P-C4' energy: -134.407 flat angles C4'-P-C4' energy: -148.081 flat angles P-C4'-P energy: -94.377 tors. eta vs tors. theta energy: -207.580 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: 447 Temperature: 1.050000 Total energy: -2080.646606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2080.646606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2080.646606 (E_RNA) where: Base-Base interactions energy: -1385.947 where: short stacking energy: -585.164 Base-Backbone interact. energy: -3.620 local terms energy: -691.079433 where: bonds (distance) C4'-P energy: -125.920 bonds (distance) P-C4' energy: -125.009 flat angles C4'-P-C4' energy: -138.507 flat angles P-C4'-P energy: -108.166 tors. eta vs tors. theta energy: -193.477 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 447 Temperature: 1.100000 Total energy: -1902.022848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1902.022848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1902.022848 (E_RNA) where: Base-Base interactions energy: -1288.357 where: short stacking energy: -535.352 Base-Backbone interact. energy: -0.326 local terms energy: -613.339987 where: bonds (distance) C4'-P energy: -112.426 bonds (distance) P-C4' energy: -117.983 flat angles C4'-P-C4' energy: -127.061 flat angles P-C4'-P energy: -90.816 tors. eta vs tors. theta energy: -165.053 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 447 Temperature: 1.150000 Total energy: -1573.424560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1573.424560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1573.424560 (E_RNA) where: Base-Base interactions energy: -1002.472 where: short stacking energy: -422.178 Base-Backbone interact. energy: -2.293 local terms energy: -568.659951 where: bonds (distance) C4'-P energy: -123.543 bonds (distance) P-C4' energy: -122.805 flat angles C4'-P-C4' energy: -119.913 flat angles P-C4'-P energy: -78.125 tors. eta vs tors. theta energy: -124.274 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 447 Temperature: 1.200000 Total energy: -1329.835734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1329.835734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1329.835734 (E_RNA) where: Base-Base interactions energy: -872.389 where: short stacking energy: -385.729 Base-Backbone interact. energy: 1.055 local terms energy: -458.502375 where: bonds (distance) C4'-P energy: -99.495 bonds (distance) P-C4' energy: -108.367 flat angles C4'-P-C4' energy: -100.175 flat angles P-C4'-P energy: -68.379 tors. eta vs tors. theta energy: -82.086 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 447 Temperature: 1.250000 Total energy: -837.254220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -837.254220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -837.254220 (E_RNA) where: Base-Base interactions energy: -415.181 where: short stacking energy: -222.018 Base-Backbone interact. energy: -0.844 local terms energy: -421.228868 where: bonds (distance) C4'-P energy: -111.176 bonds (distance) P-C4' energy: -132.123 flat angles C4'-P-C4' energy: -102.820 flat angles P-C4'-P energy: -59.733 tors. eta vs tors. theta energy: -15.376 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 447 Temperature: 1.300000 Total energy: -657.326207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -657.326207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -657.326207 (E_RNA) where: Base-Base interactions energy: -257.904 where: short stacking energy: -151.790 Base-Backbone interact. energy: -0.177 local terms energy: -399.245829 where: bonds (distance) C4'-P energy: -108.582 bonds (distance) P-C4' energy: -115.883 flat angles C4'-P-C4' energy: -110.423 flat angles P-C4'-P energy: -60.582 tors. eta vs tors. theta energy: -3.776 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 447 Temperature: 1.350000 Total energy: -539.094171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -539.094171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -539.094171 (E_RNA) where: Base-Base interactions energy: -204.460 where: short stacking energy: -143.210 Base-Backbone interact. energy: -2.204 local terms energy: -332.429593 where: bonds (distance) C4'-P energy: -102.575 bonds (distance) P-C4' energy: -120.114 flat angles C4'-P-C4' energy: -78.511 flat angles P-C4'-P energy: -34.864 tors. eta vs tors. theta energy: 3.635 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: 1, replica: 8 ===================================== Write number: 448 Temperature: 0.900000 Total energy: -2281.659089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2281.659089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2281.659089 (E_RNA) where: Base-Base interactions energy: -1560.643 where: short stacking energy: -651.674 Base-Backbone interact. energy: -2.337 local terms energy: -718.679107 where: bonds (distance) C4'-P energy: -127.751 bonds (distance) P-C4' energy: -139.606 flat angles C4'-P-C4' energy: -145.531 flat angles P-C4'-P energy: -100.088 tors. eta vs tors. theta energy: -205.702 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 448 Temperature: 0.950000 Total energy: -2196.464076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2196.464076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2196.464076 (E_RNA) where: Base-Base interactions energy: -1476.327 where: short stacking energy: -614.534 Base-Backbone interact. energy: 0.250 local terms energy: -720.387757 where: bonds (distance) C4'-P energy: -119.299 bonds (distance) P-C4' energy: -136.430 flat angles C4'-P-C4' energy: -153.104 flat angles P-C4'-P energy: -105.029 tors. eta vs tors. theta energy: -206.526 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 448 Temperature: 1.000000 Total energy: -2143.233886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2143.233886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2143.233886 (E_RNA) where: Base-Base interactions energy: -1431.290 where: short stacking energy: -628.749 Base-Backbone interact. energy: -2.729 local terms energy: -709.215080 where: bonds (distance) C4'-P energy: -124.895 bonds (distance) P-C4' energy: -124.198 flat angles C4'-P-C4' energy: -145.639 flat angles P-C4'-P energy: -99.944 tors. eta vs tors. theta energy: -214.540 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 448 Temperature: 1.050000 Total energy: -2092.869576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2092.869576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2092.869576 (E_RNA) where: Base-Base interactions energy: -1411.552 where: short stacking energy: -605.126 Base-Backbone interact. energy: -4.369 local terms energy: -676.948457 where: bonds (distance) C4'-P energy: -120.839 bonds (distance) P-C4' energy: -122.237 flat angles C4'-P-C4' energy: -144.259 flat angles P-C4'-P energy: -87.443 tors. eta vs tors. theta energy: -202.170 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 448 Temperature: 1.100000 Total energy: -1950.787370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1950.787370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1950.787370 (E_RNA) where: Base-Base interactions energy: -1316.841 where: short stacking energy: -541.656 Base-Backbone interact. energy: -2.229 local terms energy: -631.716669 where: bonds (distance) C4'-P energy: -122.159 bonds (distance) P-C4' energy: -125.785 flat angles C4'-P-C4' energy: -126.758 flat angles P-C4'-P energy: -82.529 tors. eta vs tors. theta energy: -174.486 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 448 Temperature: 1.150000 Total energy: -1617.736609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1617.736609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1617.736609 (E_RNA) where: Base-Base interactions energy: -1080.944 where: short stacking energy: -476.329 Base-Backbone interact. energy: 4.085 local terms energy: -540.877244 where: bonds (distance) C4'-P energy: -96.995 bonds (distance) P-C4' energy: -110.549 flat angles C4'-P-C4' energy: -109.826 flat angles P-C4'-P energy: -91.111 tors. eta vs tors. theta energy: -132.396 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: 1 ===================================== Write number: 448 Temperature: 1.200000 Total energy: -1309.463772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1309.463772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1309.463772 (E_RNA) where: Base-Base interactions energy: -842.951 where: short stacking energy: -380.482 Base-Backbone interact. energy: -0.312 local terms energy: -466.201414 where: bonds (distance) C4'-P energy: -109.420 bonds (distance) P-C4' energy: -104.617 flat angles C4'-P-C4' energy: -97.155 flat angles P-C4'-P energy: -76.670 tors. eta vs tors. theta energy: -78.339 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 448 Temperature: 1.250000 Total energy: -838.672837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -838.672837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -838.672837 (E_RNA) where: Base-Base interactions energy: -432.083 where: short stacking energy: -216.826 Base-Backbone interact. energy: 0.244 local terms energy: -406.833493 where: bonds (distance) C4'-P energy: -105.765 bonds (distance) P-C4' energy: -131.981 flat angles C4'-P-C4' energy: -89.606 flat angles P-C4'-P energy: -62.929 tors. eta vs tors. theta energy: -16.553 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 448 Temperature: 1.300000 Total energy: -587.662658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -587.662658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -587.662658 (E_RNA) where: Base-Base interactions energy: -250.863 where: short stacking energy: -161.627 Base-Backbone interact. energy: -0.756 local terms energy: -336.043827 where: bonds (distance) C4'-P energy: -104.619 bonds (distance) P-C4' energy: -117.504 flat angles C4'-P-C4' energy: -82.137 flat angles P-C4'-P energy: -50.655 tors. eta vs tors. theta energy: 18.872 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: 3 ===================================== Write number: 448 Temperature: 1.350000 Total energy: -632.219035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -632.219035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -632.219035 (E_RNA) where: Base-Base interactions energy: -294.388 where: short stacking energy: -169.036 Base-Backbone interact. energy: 5.593 local terms energy: -343.424177 where: bonds (distance) C4'-P energy: -90.021 bonds (distance) P-C4' energy: -108.091 flat angles C4'-P-C4' energy: -90.905 flat angles P-C4'-P energy: -63.675 tors. eta vs tors. theta energy: 9.268 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: 8 ===================================== Write number: 449 Temperature: 0.900000 Total energy: -2278.290073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2278.290073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2278.290073 (E_RNA) where: Base-Base interactions energy: -1551.275 where: short stacking energy: -646.054 Base-Backbone interact. energy: -1.249 local terms energy: -725.765868 where: bonds (distance) C4'-P energy: -136.128 bonds (distance) P-C4' energy: -125.600 flat angles C4'-P-C4' energy: -148.620 flat angles P-C4'-P energy: -102.461 tors. eta vs tors. theta energy: -212.957 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 449 Temperature: 0.950000 Total energy: -2227.702094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2227.702094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2227.702094 (E_RNA) where: Base-Base interactions energy: -1516.727 where: short stacking energy: -613.529 Base-Backbone interact. energy: -2.483 local terms energy: -708.492659 where: bonds (distance) C4'-P energy: -134.861 bonds (distance) P-C4' energy: -126.828 flat angles C4'-P-C4' energy: -144.413 flat angles P-C4'-P energy: -101.013 tors. eta vs tors. theta energy: -201.378 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 449 Temperature: 1.000000 Total energy: -2128.605051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2128.605051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2128.605051 (E_RNA) where: Base-Base interactions energy: -1434.139 where: short stacking energy: -639.976 Base-Backbone interact. energy: -2.333 local terms energy: -692.132881 where: bonds (distance) C4'-P energy: -119.677 bonds (distance) P-C4' energy: -120.312 flat angles C4'-P-C4' energy: -141.705 flat angles P-C4'-P energy: -105.824 tors. eta vs tors. theta energy: -204.615 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 449 Temperature: 1.050000 Total energy: -2006.502982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2006.502982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2006.502982 (E_RNA) where: Base-Base interactions energy: -1351.440 where: short stacking energy: -565.568 Base-Backbone interact. energy: -2.223 local terms energy: -652.840732 where: bonds (distance) C4'-P energy: -110.148 bonds (distance) P-C4' energy: -129.590 flat angles C4'-P-C4' energy: -140.582 flat angles P-C4'-P energy: -92.208 tors. eta vs tors. theta energy: -180.313 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 449 Temperature: 1.100000 Total energy: -1894.150758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1894.150758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1894.150758 (E_RNA) where: Base-Base interactions energy: -1289.508 where: short stacking energy: -545.294 Base-Backbone interact. energy: 9.681 local terms energy: -614.324009 where: bonds (distance) C4'-P energy: -100.266 bonds (distance) P-C4' energy: -121.200 flat angles C4'-P-C4' energy: -145.306 flat angles P-C4'-P energy: -81.801 tors. eta vs tors. theta energy: -165.751 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: 10 ===================================== Write number: 449 Temperature: 1.150000 Total energy: -1436.971864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1436.971864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1436.971864 (E_RNA) where: Base-Base interactions energy: -878.339 where: short stacking energy: -377.568 Base-Backbone interact. energy: -2.542 local terms energy: -556.090250 where: bonds (distance) C4'-P energy: -127.003 bonds (distance) P-C4' energy: -128.726 flat angles C4'-P-C4' energy: -120.290 flat angles P-C4'-P energy: -67.651 tors. eta vs tors. theta energy: -112.420 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 449 Temperature: 1.200000 Total energy: -1275.052225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1275.052225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1275.052225 (E_RNA) where: Base-Base interactions energy: -789.800 where: short stacking energy: -345.409 Base-Backbone interact. energy: -2.995 local terms energy: -482.257714 where: bonds (distance) C4'-P energy: -120.553 bonds (distance) P-C4' energy: -122.929 flat angles C4'-P-C4' energy: -111.206 flat angles P-C4'-P energy: -55.063 tors. eta vs tors. theta energy: -72.506 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: 9 ===================================== Write number: 449 Temperature: 1.250000 Total energy: -796.041281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -796.041281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -796.041281 (E_RNA) where: Base-Base interactions energy: -393.249 where: short stacking energy: -199.036 Base-Backbone interact. energy: -3.888 local terms energy: -398.903498 where: bonds (distance) C4'-P energy: -98.103 bonds (distance) P-C4' energy: -130.658 flat angles C4'-P-C4' energy: -101.005 flat angles P-C4'-P energy: -61.826 tors. eta vs tors. theta energy: -7.312 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 449 Temperature: 1.300000 Total energy: -628.145757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -628.145757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -628.145757 (E_RNA) where: Base-Base interactions energy: -267.554 where: short stacking energy: -149.049 Base-Backbone interact. energy: -2.825 local terms energy: -357.766251 where: bonds (distance) C4'-P energy: -99.081 bonds (distance) P-C4' energy: -115.446 flat angles C4'-P-C4' energy: -92.328 flat angles P-C4'-P energy: -54.104 tors. eta vs tors. theta energy: 3.193 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: 3 ===================================== Write number: 449 Temperature: 1.350000 Total energy: -595.509560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -595.509560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -595.509560 (E_RNA) where: Base-Base interactions energy: -251.196 where: short stacking energy: -132.453 Base-Backbone interact. energy: -4.559 local terms energy: -339.754644 where: bonds (distance) C4'-P energy: -83.562 bonds (distance) P-C4' energy: -120.835 flat angles C4'-P-C4' energy: -92.960 flat angles P-C4'-P energy: -55.808 tors. eta vs tors. theta energy: 13.411 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: 8 ===================================== Write number: 450 Temperature: 0.900000 Total energy: -2307.155552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2307.155552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2307.155552 (E_RNA) where: Base-Base interactions energy: -1596.381 where: short stacking energy: -647.567 Base-Backbone interact. energy: -1.946 local terms energy: -708.828775 where: bonds (distance) C4'-P energy: -131.756 bonds (distance) P-C4' energy: -122.046 flat angles C4'-P-C4' energy: -150.513 flat angles P-C4'-P energy: -101.112 tors. eta vs tors. theta energy: -203.402 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 450 Temperature: 0.950000 Total energy: -2199.507280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2199.507280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2199.507280 (E_RNA) where: Base-Base interactions energy: -1503.038 where: short stacking energy: -639.081 Base-Backbone interact. energy: -2.202 local terms energy: -694.267965 where: bonds (distance) C4'-P energy: -130.029 bonds (distance) P-C4' energy: -129.680 flat angles C4'-P-C4' energy: -141.472 flat angles P-C4'-P energy: -96.621 tors. eta vs tors. theta energy: -196.466 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 450 Temperature: 1.000000 Total energy: -2144.169358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2144.169358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2144.169358 (E_RNA) where: Base-Base interactions energy: -1444.509 where: short stacking energy: -634.797 Base-Backbone interact. energy: -0.243 local terms energy: -699.417934 where: bonds (distance) C4'-P energy: -123.424 bonds (distance) P-C4' energy: -121.208 flat angles C4'-P-C4' energy: -151.113 flat angles P-C4'-P energy: -91.724 tors. eta vs tors. theta energy: -211.948 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 450 Temperature: 1.050000 Total energy: -2036.521492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2036.521492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2036.521492 (E_RNA) where: Base-Base interactions energy: -1391.243 where: short stacking energy: -589.271 Base-Backbone interact. energy: -0.696 local terms energy: -644.582325 where: bonds (distance) C4'-P energy: -125.643 bonds (distance) P-C4' energy: -121.658 flat angles C4'-P-C4' energy: -133.944 flat angles P-C4'-P energy: -80.626 tors. eta vs tors. theta energy: -182.712 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 450 Temperature: 1.100000 Total energy: -1907.729947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1907.729947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1907.729947 (E_RNA) where: Base-Base interactions energy: -1275.478 where: short stacking energy: -537.793 Base-Backbone interact. energy: -2.864 local terms energy: -629.387813 where: bonds (distance) C4'-P energy: -126.511 bonds (distance) P-C4' energy: -123.434 flat angles C4'-P-C4' energy: -123.243 flat angles P-C4'-P energy: -91.920 tors. eta vs tors. theta energy: -164.280 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 450 Temperature: 1.150000 Total energy: -1456.457813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1456.457813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1456.457813 (E_RNA) where: Base-Base interactions energy: -949.025 where: short stacking energy: -403.228 Base-Backbone interact. energy: 3.765 local terms energy: -511.197705 where: bonds (distance) C4'-P energy: -108.433 bonds (distance) P-C4' energy: -112.557 flat angles C4'-P-C4' energy: -117.743 flat angles P-C4'-P energy: -68.958 tors. eta vs tors. theta energy: -103.508 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 450 Temperature: 1.200000 Total energy: -1308.679060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1308.679060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1308.679060 (E_RNA) where: Base-Base interactions energy: -827.750 where: short stacking energy: -351.607 Base-Backbone interact. energy: -3.872 local terms energy: -477.057175 where: bonds (distance) C4'-P energy: -98.614 bonds (distance) P-C4' energy: -106.367 flat angles C4'-P-C4' energy: -128.198 flat angles P-C4'-P energy: -58.699 tors. eta vs tors. theta energy: -85.179 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 450 Temperature: 1.250000 Total energy: -905.716640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -905.716640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -905.716640 (E_RNA) where: Base-Base interactions energy: -516.134 where: short stacking energy: -263.640 Base-Backbone interact. energy: -4.324 local terms energy: -385.258548 where: bonds (distance) C4'-P energy: -91.694 bonds (distance) P-C4' energy: -109.517 flat angles C4'-P-C4' energy: -108.949 flat angles P-C4'-P energy: -57.102 tors. eta vs tors. theta energy: -17.997 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 450 Temperature: 1.300000 Total energy: -631.209727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -631.209727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -631.209727 (E_RNA) where: Base-Base interactions energy: -316.392 where: short stacking energy: -213.481 Base-Backbone interact. energy: -1.964 local terms energy: -312.853897 where: bonds (distance) C4'-P energy: -86.465 bonds (distance) P-C4' energy: -99.267 flat angles C4'-P-C4' energy: -78.329 flat angles P-C4'-P energy: -51.816 tors. eta vs tors. theta energy: 3.023 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 450 Temperature: 1.350000 Total energy: -577.505338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -577.505338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -577.505338 (E_RNA) where: Base-Base interactions energy: -254.708 where: short stacking energy: -126.759 Base-Backbone interact. energy: -1.471 local terms energy: -321.326539 where: bonds (distance) C4'-P energy: -92.141 bonds (distance) P-C4' energy: -110.235 flat angles C4'-P-C4' energy: -99.493 flat angles P-C4'-P energy: -41.379 tors. eta vs tors. theta energy: 21.921 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: 8 ===================================== Write number: 451 Temperature: 0.900000 Total energy: -2306.827252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2306.827252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2306.827252 (E_RNA) where: Base-Base interactions energy: -1585.145 where: short stacking energy: -636.442 Base-Backbone interact. energy: -1.162 local terms energy: -720.519860 where: bonds (distance) C4'-P energy: -137.575 bonds (distance) P-C4' energy: -132.419 flat angles C4'-P-C4' energy: -148.031 flat angles P-C4'-P energy: -90.921 tors. eta vs tors. theta energy: -211.574 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 451 Temperature: 0.950000 Total energy: -2195.838627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2195.838627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2195.838627 (E_RNA) where: Base-Base interactions energy: -1477.136 where: short stacking energy: -625.735 Base-Backbone interact. energy: -0.166 local terms energy: -718.536584 where: bonds (distance) C4'-P energy: -132.218 bonds (distance) P-C4' energy: -140.657 flat angles C4'-P-C4' energy: -148.981 flat angles P-C4'-P energy: -93.577 tors. eta vs tors. theta energy: -203.104 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 451 Temperature: 1.000000 Total energy: -2129.442684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2129.442684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2129.442684 (E_RNA) where: Base-Base interactions energy: -1432.083 where: short stacking energy: -608.948 Base-Backbone interact. energy: -1.329 local terms energy: -696.030511 where: bonds (distance) C4'-P energy: -114.892 bonds (distance) P-C4' energy: -118.972 flat angles C4'-P-C4' energy: -144.560 flat angles P-C4'-P energy: -115.496 tors. eta vs tors. theta energy: -202.111 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: 6 ===================================== Write number: 451 Temperature: 1.050000 Total energy: -2082.066822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2082.066822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2082.066822 (E_RNA) where: Base-Base interactions energy: -1397.960 where: short stacking energy: -592.858 Base-Backbone interact. energy: -1.519 local terms energy: -682.587320 where: bonds (distance) C4'-P energy: -122.552 bonds (distance) P-C4' energy: -135.839 flat angles C4'-P-C4' energy: -143.249 flat angles P-C4'-P energy: -95.854 tors. eta vs tors. theta energy: -185.094 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: 5 ===================================== Write number: 451 Temperature: 1.100000 Total energy: -1858.487589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1858.487589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1858.487589 (E_RNA) where: Base-Base interactions energy: -1234.741 where: short stacking energy: -525.908 Base-Backbone interact. energy: 0.949 local terms energy: -624.695057 where: bonds (distance) C4'-P energy: -140.368 bonds (distance) P-C4' energy: -121.846 flat angles C4'-P-C4' energy: -118.814 flat angles P-C4'-P energy: -78.191 tors. eta vs tors. theta energy: -165.475 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: 10 ===================================== Write number: 451 Temperature: 1.150000 Total energy: -1418.455499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1418.455499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1418.455499 (E_RNA) where: Base-Base interactions energy: -879.181 where: short stacking energy: -411.875 Base-Backbone interact. energy: -1.122 local terms energy: -538.152295 where: bonds (distance) C4'-P energy: -127.567 bonds (distance) P-C4' energy: -122.127 flat angles C4'-P-C4' energy: -114.147 flat angles P-C4'-P energy: -79.514 tors. eta vs tors. theta energy: -94.798 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: 1 ===================================== Write number: 451 Temperature: 1.200000 Total energy: -1347.555387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1347.555387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1347.555387 (E_RNA) where: Base-Base interactions energy: -829.232 where: short stacking energy: -360.956 Base-Backbone interact. energy: -1.115 local terms energy: -517.209036 where: bonds (distance) C4'-P energy: -113.440 bonds (distance) P-C4' energy: -134.745 flat angles C4'-P-C4' energy: -122.770 flat angles P-C4'-P energy: -74.186 tors. eta vs tors. theta energy: -72.068 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 451 Temperature: 1.250000 Total energy: -832.916972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -832.916972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -832.916972 (E_RNA) where: Base-Base interactions energy: -401.639 where: short stacking energy: -218.044 Base-Backbone interact. energy: -3.081 local terms energy: -428.197158 where: bonds (distance) C4'-P energy: -109.796 bonds (distance) P-C4' energy: -124.536 flat angles C4'-P-C4' energy: -106.156 flat angles P-C4'-P energy: -78.628 tors. eta vs tors. theta energy: -9.080 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: 3 ===================================== Write number: 451 Temperature: 1.300000 Total energy: -630.348029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -630.348029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -630.348029 (E_RNA) where: Base-Base interactions energy: -291.870 where: short stacking energy: -152.295 Base-Backbone interact. energy: -2.903 local terms energy: -335.574896 where: bonds (distance) C4'-P energy: -82.558 bonds (distance) P-C4' energy: -117.320 flat angles C4'-P-C4' energy: -93.715 flat angles P-C4'-P energy: -51.680 tors. eta vs tors. theta energy: 9.699 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 451 Temperature: 1.350000 Total energy: -619.636378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -619.636378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -619.636378 (E_RNA) where: Base-Base interactions energy: -254.307 where: short stacking energy: -151.808 Base-Backbone interact. energy: 2.125 local terms energy: -367.454489 where: bonds (distance) C4'-P energy: -122.898 bonds (distance) P-C4' energy: -113.905 flat angles C4'-P-C4' energy: -96.662 flat angles P-C4'-P energy: -46.630 tors. eta vs tors. theta energy: 12.641 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: 8 ===================================== Write number: 452 Temperature: 0.900000 Total energy: -2311.839387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2311.839387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2311.839387 (E_RNA) where: Base-Base interactions energy: -1557.042 where: short stacking energy: -643.683 Base-Backbone interact. energy: -1.914 local terms energy: -752.883642 where: bonds (distance) C4'-P energy: -142.460 bonds (distance) P-C4' energy: -131.656 flat angles C4'-P-C4' energy: -160.868 flat angles P-C4'-P energy: -107.473 tors. eta vs tors. theta energy: -210.427 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 452 Temperature: 0.950000 Total energy: -2187.989748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2187.989748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2187.989748 (E_RNA) where: Base-Base interactions energy: -1501.014 where: short stacking energy: -607.838 Base-Backbone interact. energy: 0.771 local terms energy: -687.746113 where: bonds (distance) C4'-P energy: -127.775 bonds (distance) P-C4' energy: -133.172 flat angles C4'-P-C4' energy: -143.805 flat angles P-C4'-P energy: -86.398 tors. eta vs tors. theta energy: -196.596 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 452 Temperature: 1.000000 Total energy: -2094.955517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2094.955517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2094.955517 (E_RNA) where: Base-Base interactions energy: -1399.954 where: short stacking energy: -615.622 Base-Backbone interact. energy: -3.152 local terms energy: -691.849435 where: bonds (distance) C4'-P energy: -130.638 bonds (distance) P-C4' energy: -132.074 flat angles C4'-P-C4' energy: -154.417 flat angles P-C4'-P energy: -83.149 tors. eta vs tors. theta energy: -191.572 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 452 Temperature: 1.050000 Total energy: -2039.432729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2039.432729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2039.432729 (E_RNA) where: Base-Base interactions energy: -1389.664 where: short stacking energy: -577.825 Base-Backbone interact. energy: -0.290 local terms energy: -649.478371 where: bonds (distance) C4'-P energy: -118.472 bonds (distance) P-C4' energy: -114.207 flat angles C4'-P-C4' energy: -148.771 flat angles P-C4'-P energy: -76.142 tors. eta vs tors. theta energy: -191.887 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: 5 ===================================== Write number: 452 Temperature: 1.100000 Total energy: -1874.159974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1874.159974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1874.159974 (E_RNA) where: Base-Base interactions energy: -1265.382 where: short stacking energy: -536.299 Base-Backbone interact. energy: -4.501 local terms energy: -604.277319 where: bonds (distance) C4'-P energy: -120.239 bonds (distance) P-C4' energy: -109.790 flat angles C4'-P-C4' energy: -129.830 flat angles P-C4'-P energy: -91.135 tors. eta vs tors. theta energy: -153.283 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 452 Temperature: 1.150000 Total energy: -1491.570292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1491.570292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1491.570292 (E_RNA) where: Base-Base interactions energy: -964.050 where: short stacking energy: -423.203 Base-Backbone interact. energy: -0.753 local terms energy: -526.767601 where: bonds (distance) C4'-P energy: -100.383 bonds (distance) P-C4' energy: -115.940 flat angles C4'-P-C4' energy: -122.654 flat angles P-C4'-P energy: -78.365 tors. eta vs tors. theta energy: -109.426 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: 1 ===================================== Write number: 452 Temperature: 1.200000 Total energy: -1161.340633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1161.340633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1161.340633 (E_RNA) where: Base-Base interactions energy: -730.713 where: short stacking energy: -303.319 Base-Backbone interact. energy: 2.882 local terms energy: -433.509087 where: bonds (distance) C4'-P energy: -95.054 bonds (distance) P-C4' energy: -121.717 flat angles C4'-P-C4' energy: -108.546 flat angles P-C4'-P energy: -62.035 tors. eta vs tors. theta energy: -46.157 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 452 Temperature: 1.250000 Total energy: -845.257030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -845.257030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -845.257030 (E_RNA) where: Base-Base interactions energy: -451.316 where: short stacking energy: -208.715 Base-Backbone interact. energy: 5.242 local terms energy: -399.183149 where: bonds (distance) C4'-P energy: -88.980 bonds (distance) P-C4' energy: -130.392 flat angles C4'-P-C4' energy: -102.777 flat angles P-C4'-P energy: -54.265 tors. eta vs tors. theta energy: -22.769 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: 3 ===================================== Write number: 452 Temperature: 1.300000 Total energy: -680.125943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -680.125943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -680.125943 (E_RNA) where: Base-Base interactions energy: -338.294 where: short stacking energy: -188.484 Base-Backbone interact. energy: 5.282 local terms energy: -347.113505 where: bonds (distance) C4'-P energy: -83.724 bonds (distance) P-C4' energy: -107.783 flat angles C4'-P-C4' energy: -102.061 flat angles P-C4'-P energy: -65.665 tors. eta vs tors. theta energy: 12.120 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 452 Temperature: 1.350000 Total energy: -618.224550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -618.224550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -618.224550 (E_RNA) where: Base-Base interactions energy: -269.625 where: short stacking energy: -143.759 Base-Backbone interact. energy: -0.007 local terms energy: -348.592719 where: bonds (distance) C4'-P energy: -95.683 bonds (distance) P-C4' energy: -106.191 flat angles C4'-P-C4' energy: -100.228 flat angles P-C4'-P energy: -50.718 tors. eta vs tors. theta energy: 4.227 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: 8 ===================================== Write number: 453 Temperature: 0.900000 Total energy: -2300.807051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2300.807051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2300.807051 (E_RNA) where: Base-Base interactions energy: -1577.607 where: short stacking energy: -651.663 Base-Backbone interact. energy: -2.580 local terms energy: -720.619894 where: bonds (distance) C4'-P energy: -121.191 bonds (distance) P-C4' energy: -129.819 flat angles C4'-P-C4' energy: -152.917 flat angles P-C4'-P energy: -104.591 tors. eta vs tors. theta energy: -212.101 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: 2 ===================================== Write number: 453 Temperature: 0.950000 Total energy: -2194.300115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2194.300115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2194.300115 (E_RNA) where: Base-Base interactions energy: -1495.415 where: short stacking energy: -596.316 Base-Backbone interact. energy: -2.198 local terms energy: -696.687141 where: bonds (distance) C4'-P energy: -128.356 bonds (distance) P-C4' energy: -134.344 flat angles C4'-P-C4' energy: -151.714 flat angles P-C4'-P energy: -83.407 tors. eta vs tors. theta energy: -198.867 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 453 Temperature: 1.000000 Total energy: -2064.403472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2064.403472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2064.403472 (E_RNA) where: Base-Base interactions energy: -1399.395 where: short stacking energy: -583.244 Base-Backbone interact. energy: 5.978 local terms energy: -670.986887 where: bonds (distance) C4'-P energy: -110.356 bonds (distance) P-C4' energy: -129.285 flat angles C4'-P-C4' energy: -143.932 flat angles P-C4'-P energy: -99.799 tors. eta vs tors. theta energy: -187.616 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: 6 ===================================== Write number: 453 Temperature: 1.050000 Total energy: -2053.593967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2053.593967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2053.593967 (E_RNA) where: Base-Base interactions energy: -1390.277 where: short stacking energy: -600.082 Base-Backbone interact. energy: -1.278 local terms energy: -662.039742 where: bonds (distance) C4'-P energy: -120.190 bonds (distance) P-C4' energy: -120.278 flat angles C4'-P-C4' energy: -136.358 flat angles P-C4'-P energy: -96.960 tors. eta vs tors. theta energy: -188.253 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 453 Temperature: 1.100000 Total energy: -1863.171545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1863.171545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1863.171545 (E_RNA) where: Base-Base interactions energy: -1259.780 where: short stacking energy: -503.253 Base-Backbone interact. energy: -4.716 local terms energy: -598.675753 where: bonds (distance) C4'-P energy: -112.350 bonds (distance) P-C4' energy: -117.089 flat angles C4'-P-C4' energy: -126.972 flat angles P-C4'-P energy: -86.751 tors. eta vs tors. theta energy: -155.515 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: 6, replica: 10 ===================================== Write number: 453 Temperature: 1.150000 Total energy: -1548.409092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1548.409092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1548.409092 (E_RNA) where: Base-Base interactions energy: -1001.338 where: short stacking energy: -459.253 Base-Backbone interact. energy: -0.753 local terms energy: -546.318014 where: bonds (distance) C4'-P energy: -103.182 bonds (distance) P-C4' energy: -115.891 flat angles C4'-P-C4' energy: -138.130 flat angles P-C4'-P energy: -59.149 tors. eta vs tors. theta energy: -129.966 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: 7, replica: 1 ===================================== Write number: 453 Temperature: 1.200000 Total energy: -1215.045994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1215.045994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1215.045994 (E_RNA) where: Base-Base interactions energy: -739.559 where: short stacking energy: -336.681 Base-Backbone interact. energy: -1.843 local terms energy: -473.643612 where: bonds (distance) C4'-P energy: -119.704 bonds (distance) P-C4' energy: -112.838 flat angles C4'-P-C4' energy: -102.180 flat angles P-C4'-P energy: -63.093 tors. eta vs tors. theta energy: -75.829 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 453 Temperature: 1.250000 Total energy: -861.704356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -861.704356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -861.704356 (E_RNA) where: Base-Base interactions energy: -431.924 where: short stacking energy: -242.154 Base-Backbone interact. energy: 0.980 local terms energy: -430.760606 where: bonds (distance) C4'-P energy: -119.272 bonds (distance) P-C4' energy: -121.990 flat angles C4'-P-C4' energy: -102.821 flat angles P-C4'-P energy: -57.948 tors. eta vs tors. theta energy: -28.730 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: 3 ===================================== Write number: 453 Temperature: 1.300000 Total energy: -692.876355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -692.876355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -692.876355 (E_RNA) where: Base-Base interactions energy: -319.229 where: short stacking energy: -194.495 Base-Backbone interact. energy: -0.728 local terms energy: -372.920110 where: bonds (distance) C4'-P energy: -102.036 bonds (distance) P-C4' energy: -126.035 flat angles C4'-P-C4' energy: -73.807 flat angles P-C4'-P energy: -63.526 tors. eta vs tors. theta energy: -7.516 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 453 Temperature: 1.350000 Total energy: -483.917826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -483.917826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -483.917826 (E_RNA) where: Base-Base interactions energy: -156.646 where: short stacking energy: -100.301 Base-Backbone interact. energy: 1.222 local terms energy: -328.494182 where: bonds (distance) C4'-P energy: -108.480 bonds (distance) P-C4' energy: -121.501 flat angles C4'-P-C4' energy: -85.992 flat angles P-C4'-P energy: -47.107 tors. eta vs tors. theta energy: 34.585 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: 1, replica: 8 ===================================== Write number: 454 Temperature: 0.900000 Total energy: -2305.722629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2305.722629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2305.722629 (E_RNA) where: Base-Base interactions energy: -1570.677 where: short stacking energy: -643.321 Base-Backbone interact. energy: -0.121 local terms energy: -734.924695 where: bonds (distance) C4'-P energy: -143.627 bonds (distance) P-C4' energy: -142.121 flat angles C4'-P-C4' energy: -147.495 flat angles P-C4'-P energy: -93.808 tors. eta vs tors. theta energy: -207.874 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: 2 ===================================== Write number: 454 Temperature: 0.950000 Total energy: -2182.881826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2182.881826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2182.881826 (E_RNA) where: Base-Base interactions energy: -1497.546 where: short stacking energy: -608.408 Base-Backbone interact. energy: -2.818 local terms energy: -682.517098 where: bonds (distance) C4'-P energy: -126.674 bonds (distance) P-C4' energy: -131.878 flat angles C4'-P-C4' energy: -131.039 flat angles P-C4'-P energy: -102.489 tors. eta vs tors. theta energy: -190.437 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 454 Temperature: 1.000000 Total energy: -2071.966901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2071.966901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2071.966901 (E_RNA) where: Base-Base interactions energy: -1393.083 where: short stacking energy: -590.451 Base-Backbone interact. energy: -2.824 local terms energy: -676.059936 where: bonds (distance) C4'-P energy: -122.582 bonds (distance) P-C4' energy: -130.681 flat angles C4'-P-C4' energy: -144.493 flat angles P-C4'-P energy: -85.913 tors. eta vs tors. theta energy: -192.390 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: 4, replica: 6 ===================================== Write number: 454 Temperature: 1.050000 Total energy: -2075.064259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2075.064259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2075.064259 (E_RNA) where: Base-Base interactions energy: -1407.041 where: short stacking energy: -622.847 Base-Backbone interact. energy: -1.202 local terms energy: -666.821667 where: bonds (distance) C4'-P energy: -126.580 bonds (distance) P-C4' energy: -116.813 flat angles C4'-P-C4' energy: -142.317 flat angles P-C4'-P energy: -83.397 tors. eta vs tors. theta energy: -197.715 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 454 Temperature: 1.100000 Total energy: -1806.664796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1806.664796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1806.664796 (E_RNA) where: Base-Base interactions energy: -1221.726 where: short stacking energy: -497.862 Base-Backbone interact. energy: 0.510 local terms energy: -585.448458 where: bonds (distance) C4'-P energy: -104.864 bonds (distance) P-C4' energy: -129.535 flat angles C4'-P-C4' energy: -130.067 flat angles P-C4'-P energy: -82.373 tors. eta vs tors. theta energy: -138.610 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: 10 ===================================== Write number: 454 Temperature: 1.150000 Total energy: -1472.153265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1472.153265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1472.153265 (E_RNA) where: Base-Base interactions energy: -950.829 where: short stacking energy: -440.148 Base-Backbone interact. energy: 1.718 local terms energy: -523.042318 where: bonds (distance) C4'-P energy: -87.422 bonds (distance) P-C4' energy: -117.758 flat angles C4'-P-C4' energy: -131.267 flat angles P-C4'-P energy: -73.998 tors. eta vs tors. theta energy: -112.596 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: 1 ===================================== Write number: 454 Temperature: 1.200000 Total energy: -1186.372640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1186.372640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1186.372640 (E_RNA) where: Base-Base interactions energy: -719.690 where: short stacking energy: -332.463 Base-Backbone interact. energy: 1.562 local terms energy: -468.245041 where: bonds (distance) C4'-P energy: -95.526 bonds (distance) P-C4' energy: -123.610 flat angles C4'-P-C4' energy: -106.143 flat angles P-C4'-P energy: -81.720 tors. eta vs tors. theta energy: -61.246 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 454 Temperature: 1.250000 Total energy: -896.421855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -896.421855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -896.421855 (E_RNA) where: Base-Base interactions energy: -443.825 where: short stacking energy: -238.851 Base-Backbone interact. energy: -2.509 local terms energy: -450.087761 where: bonds (distance) C4'-P energy: -109.677 bonds (distance) P-C4' energy: -129.940 flat angles C4'-P-C4' energy: -114.436 flat angles P-C4'-P energy: -70.245 tors. eta vs tors. theta energy: -25.790 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: 3 ===================================== Write number: 454 Temperature: 1.300000 Total energy: -631.057539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -631.057539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -631.057539 (E_RNA) where: Base-Base interactions energy: -270.951 where: short stacking energy: -168.438 Base-Backbone interact. energy: -1.255 local terms energy: -358.851424 where: bonds (distance) C4'-P energy: -116.953 bonds (distance) P-C4' energy: -113.685 flat angles C4'-P-C4' energy: -81.308 flat angles P-C4'-P energy: -49.098 tors. eta vs tors. theta energy: 2.192 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: 454 Temperature: 1.350000 Total energy: -472.029391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -472.029391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -472.029391 (E_RNA) where: Base-Base interactions energy: -150.144 where: short stacking energy: -107.486 Base-Backbone interact. energy: 5.500 local terms energy: -327.385051 where: bonds (distance) C4'-P energy: -93.175 bonds (distance) P-C4' energy: -117.516 flat angles C4'-P-C4' energy: -95.839 flat angles P-C4'-P energy: -52.816 tors. eta vs tors. theta energy: 31.961 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: 8 ===================================== Write number: 455 Temperature: 0.900000 Total energy: -2292.244036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2292.244036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2292.244036 (E_RNA) where: Base-Base interactions energy: -1573.413 where: short stacking energy: -646.423 Base-Backbone interact. energy: -0.335 local terms energy: -718.495663 where: bonds (distance) C4'-P energy: -131.152 bonds (distance) P-C4' energy: -141.082 flat angles C4'-P-C4' energy: -144.631 flat angles P-C4'-P energy: -99.936 tors. eta vs tors. theta energy: -201.695 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: 7 ===================================== Write number: 455 Temperature: 0.950000 Total energy: -2118.603354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2118.603354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2118.603354 (E_RNA) where: Base-Base interactions energy: -1451.540 where: short stacking energy: -610.345 Base-Backbone interact. energy: 2.958 local terms energy: -670.021086 where: bonds (distance) C4'-P energy: -122.920 bonds (distance) P-C4' energy: -125.839 flat angles C4'-P-C4' energy: -145.438 flat angles P-C4'-P energy: -90.553 tors. eta vs tors. theta energy: -185.271 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 455 Temperature: 1.000000 Total energy: -2128.206907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2128.206907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2128.206907 (E_RNA) where: Base-Base interactions energy: -1435.199 where: short stacking energy: -600.612 Base-Backbone interact. energy: 0.212 local terms energy: -693.220486 where: bonds (distance) C4'-P energy: -120.809 bonds (distance) P-C4' energy: -131.959 flat angles C4'-P-C4' energy: -151.797 flat angles P-C4'-P energy: -101.799 tors. eta vs tors. theta energy: -186.856 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 455 Temperature: 1.050000 Total energy: -2019.086226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2019.086226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2019.086226 (E_RNA) where: Base-Base interactions energy: -1345.129 where: short stacking energy: -571.243 Base-Backbone interact. energy: 0.654 local terms energy: -674.611311 where: bonds (distance) C4'-P energy: -117.747 bonds (distance) P-C4' energy: -121.915 flat angles C4'-P-C4' energy: -139.815 flat angles P-C4'-P energy: -111.486 tors. eta vs tors. theta energy: -183.649 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: 5 ===================================== Write number: 455 Temperature: 1.100000 Total energy: -1826.764720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1826.764720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1826.764720 (E_RNA) where: Base-Base interactions energy: -1212.757 where: short stacking energy: -544.028 Base-Backbone interact. energy: -2.576 local terms energy: -611.431453 where: bonds (distance) C4'-P energy: -116.542 bonds (distance) P-C4' energy: -111.393 flat angles C4'-P-C4' energy: -132.038 flat angles P-C4'-P energy: -93.447 tors. eta vs tors. theta energy: -158.012 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 455 Temperature: 1.150000 Total energy: -1465.261348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1465.261348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1465.261348 (E_RNA) where: Base-Base interactions energy: -950.669 where: short stacking energy: -400.574 Base-Backbone interact. energy: -1.889 local terms energy: -512.703188 where: bonds (distance) C4'-P energy: -98.773 bonds (distance) P-C4' energy: -119.362 flat angles C4'-P-C4' energy: -126.140 flat angles P-C4'-P energy: -76.615 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: 1 ===================================== Write number: 455 Temperature: 1.200000 Total energy: -1145.613895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1145.613895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1145.613895 (E_RNA) where: Base-Base interactions energy: -664.118 where: short stacking energy: -301.449 Base-Backbone interact. energy: 0.913 local terms energy: -482.408740 where: bonds (distance) C4'-P energy: -129.461 bonds (distance) P-C4' energy: -111.589 flat angles C4'-P-C4' energy: -119.479 flat angles P-C4'-P energy: -74.546 tors. eta vs tors. theta energy: -47.335 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: 8, replica: 9 ===================================== Write number: 455 Temperature: 1.250000 Total energy: -914.976719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -914.976719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -914.976719 (E_RNA) where: Base-Base interactions energy: -498.679 where: short stacking energy: -255.768 Base-Backbone interact. energy: -2.117 local terms energy: -414.181190 where: bonds (distance) C4'-P energy: -103.508 bonds (distance) P-C4' energy: -98.459 flat angles C4'-P-C4' energy: -102.081 flat angles P-C4'-P energy: -65.843 tors. eta vs tors. theta energy: -44.290 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 455 Temperature: 1.300000 Total energy: -676.458098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -676.458098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -676.458098 (E_RNA) where: Base-Base interactions energy: -277.556 where: short stacking energy: -166.203 Base-Backbone interact. energy: -1.036 local terms energy: -397.866555 where: bonds (distance) C4'-P energy: -111.138 bonds (distance) P-C4' energy: -126.380 flat angles C4'-P-C4' energy: -90.532 flat angles P-C4'-P energy: -71.998 tors. eta vs tors. theta energy: 2.181 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: 10, replica: 4 ===================================== Write number: 455 Temperature: 1.350000 Total energy: -528.726587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -528.726587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -528.726587 (E_RNA) where: Base-Base interactions energy: -167.156 where: short stacking energy: -134.745 Base-Backbone interact. energy: 0.582 local terms energy: -362.153012 where: bonds (distance) C4'-P energy: -113.029 bonds (distance) P-C4' energy: -143.039 flat angles C4'-P-C4' energy: -83.944 flat angles P-C4'-P energy: -55.593 tors. eta vs tors. theta energy: 33.452 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 456 Temperature: 0.900000 Total energy: -2288.103753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2288.103753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2288.103753 (E_RNA) where: Base-Base interactions energy: -1567.290 where: short stacking energy: -648.851 Base-Backbone interact. energy: -0.183 local terms energy: -720.631090 where: bonds (distance) C4'-P energy: -131.696 bonds (distance) P-C4' energy: -137.692 flat angles C4'-P-C4' energy: -157.095 flat angles P-C4'-P energy: -87.654 tors. eta vs tors. theta energy: -206.495 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 456 Temperature: 0.950000 Total energy: -2165.815226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2165.815226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2165.815226 (E_RNA) where: Base-Base interactions energy: -1468.280 where: short stacking energy: -621.483 Base-Backbone interact. energy: 4.217 local terms energy: -701.751687 where: bonds (distance) C4'-P energy: -123.614 bonds (distance) P-C4' energy: -127.131 flat angles C4'-P-C4' energy: -156.995 flat angles P-C4'-P energy: -101.953 tors. eta vs tors. theta energy: -192.058 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 456 Temperature: 1.000000 Total energy: -2136.154393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2136.154393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2136.154393 (E_RNA) where: Base-Base interactions energy: -1468.524 where: short stacking energy: -612.298 Base-Backbone interact. energy: -1.543 local terms energy: -666.087223 where: bonds (distance) C4'-P energy: -121.722 bonds (distance) P-C4' energy: -122.155 flat angles C4'-P-C4' energy: -138.285 flat angles P-C4'-P energy: -83.376 tors. eta vs tors. theta energy: -200.549 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 456 Temperature: 1.050000 Total energy: -2014.350517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2014.350517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2014.350517 (E_RNA) where: Base-Base interactions energy: -1357.963 where: short stacking energy: -565.711 Base-Backbone interact. energy: -1.405 local terms energy: -654.982490 where: bonds (distance) C4'-P energy: -131.580 bonds (distance) P-C4' energy: -125.474 flat angles C4'-P-C4' energy: -133.723 flat angles P-C4'-P energy: -86.778 tors. eta vs tors. theta energy: -177.428 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: 5 ===================================== Write number: 456 Temperature: 1.100000 Total energy: -1822.952641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1822.952641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1822.952641 (E_RNA) where: Base-Base interactions energy: -1215.777 where: short stacking energy: -519.555 Base-Backbone interact. energy: -1.439 local terms energy: -605.736417 where: bonds (distance) C4'-P energy: -121.976 bonds (distance) P-C4' energy: -125.983 flat angles C4'-P-C4' energy: -127.126 flat angles P-C4'-P energy: -81.267 tors. eta vs tors. theta energy: -149.385 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: 10 ===================================== Write number: 456 Temperature: 1.150000 Total energy: -1532.888382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1532.888382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1532.888382 (E_RNA) where: Base-Base interactions energy: -989.333 where: short stacking energy: -422.855 Base-Backbone interact. energy: 0.987 local terms energy: -544.542221 where: bonds (distance) C4'-P energy: -119.155 bonds (distance) P-C4' energy: -117.646 flat angles C4'-P-C4' energy: -116.042 flat angles P-C4'-P energy: -76.648 tors. eta vs tors. theta energy: -115.051 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 456 Temperature: 1.200000 Total energy: -1193.732493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1193.732493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1193.732493 (E_RNA) where: Base-Base interactions energy: -728.831 where: short stacking energy: -322.961 Base-Backbone interact. energy: 5.344 local terms energy: -470.245767 where: bonds (distance) C4'-P energy: -111.914 bonds (distance) P-C4' energy: -114.274 flat angles C4'-P-C4' energy: -94.560 flat angles P-C4'-P energy: -84.428 tors. eta vs tors. theta energy: -65.070 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: 9 ===================================== Write number: 456 Temperature: 1.250000 Total energy: -930.282752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -930.282752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -930.282752 (E_RNA) where: Base-Base interactions energy: -525.888 where: short stacking energy: -272.741 Base-Backbone interact. energy: -1.425 local terms energy: -402.970177 where: bonds (distance) C4'-P energy: -99.300 bonds (distance) P-C4' energy: -105.220 flat angles C4'-P-C4' energy: -106.889 flat angles P-C4'-P energy: -52.644 tors. eta vs tors. theta energy: -38.917 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 456 Temperature: 1.300000 Total energy: -747.413106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -747.413106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -747.413106 (E_RNA) where: Base-Base interactions energy: -335.349 where: short stacking energy: -177.829 Base-Backbone interact. energy: -4.364 local terms energy: -407.700263 where: bonds (distance) C4'-P energy: -110.804 bonds (distance) P-C4' energy: -120.235 flat angles C4'-P-C4' energy: -99.558 flat angles P-C4'-P energy: -71.400 tors. eta vs tors. theta energy: -5.702 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 456 Temperature: 1.350000 Total energy: -497.581610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -497.581610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -497.581610 (E_RNA) where: Base-Base interactions energy: -185.393 where: short stacking energy: -123.236 Base-Backbone interact. energy: 13.126 local terms energy: -325.314829 where: bonds (distance) C4'-P energy: -111.366 bonds (distance) P-C4' energy: -105.216 flat angles C4'-P-C4' energy: -76.667 flat angles P-C4'-P energy: -57.960 tors. eta vs tors. theta energy: 25.895 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 457 Temperature: 0.900000 Total energy: -2303.601100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2303.601100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2303.601100 (E_RNA) where: Base-Base interactions energy: -1575.475 where: short stacking energy: -663.131 Base-Backbone interact. energy: -4.137 local terms energy: -723.989070 where: bonds (distance) C4'-P energy: -130.587 bonds (distance) P-C4' energy: -136.652 flat angles C4'-P-C4' energy: -141.505 flat angles P-C4'-P energy: -105.543 tors. eta vs tors. theta energy: -209.703 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 457 Temperature: 0.950000 Total energy: -2176.654598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2176.654598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2176.654598 (E_RNA) where: Base-Base interactions energy: -1475.550 where: short stacking energy: -622.400 Base-Backbone interact. energy: -2.772 local terms energy: -698.333327 where: bonds (distance) C4'-P energy: -129.460 bonds (distance) P-C4' energy: -133.412 flat angles C4'-P-C4' energy: -149.192 flat angles P-C4'-P energy: -87.833 tors. eta vs tors. theta energy: -198.435 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: 7 ===================================== Write number: 457 Temperature: 1.000000 Total energy: -2151.637509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2151.637509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2151.637509 (E_RNA) where: Base-Base interactions energy: -1456.246 where: short stacking energy: -613.107 Base-Backbone interact. energy: -2.681 local terms energy: -692.710474 where: bonds (distance) C4'-P energy: -121.146 bonds (distance) P-C4' energy: -127.394 flat angles C4'-P-C4' energy: -144.605 flat angles P-C4'-P energy: -97.557 tors. eta vs tors. theta energy: -202.009 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: 6 ===================================== Write number: 457 Temperature: 1.050000 Total energy: -2038.852345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2038.852345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2038.852345 (E_RNA) where: Base-Base interactions energy: -1388.745 where: short stacking energy: -576.152 Base-Backbone interact. energy: -1.509 local terms energy: -648.598162 where: bonds (distance) C4'-P energy: -114.340 bonds (distance) P-C4' energy: -127.886 flat angles C4'-P-C4' energy: -137.383 flat angles P-C4'-P energy: -97.727 tors. eta vs tors. theta energy: -171.261 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: 5 ===================================== Write number: 457 Temperature: 1.100000 Total energy: -1788.393285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1788.393285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1788.393285 (E_RNA) where: Base-Base interactions energy: -1184.100 where: short stacking energy: -536.784 Base-Backbone interact. energy: -2.365 local terms energy: -601.928289 where: bonds (distance) C4'-P energy: -118.109 bonds (distance) P-C4' energy: -122.223 flat angles C4'-P-C4' energy: -131.141 flat angles P-C4'-P energy: -76.726 tors. eta vs tors. theta energy: -153.729 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 457 Temperature: 1.150000 Total energy: -1545.830160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1545.830160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1545.830160 (E_RNA) where: Base-Base interactions energy: -1028.607 where: short stacking energy: -450.140 Base-Backbone interact. energy: 0.689 local terms energy: -517.911833 where: bonds (distance) C4'-P energy: -108.416 bonds (distance) P-C4' energy: -110.648 flat angles C4'-P-C4' energy: -109.507 flat angles P-C4'-P energy: -73.295 tors. eta vs tors. theta energy: -116.046 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: 1 ===================================== Write number: 457 Temperature: 1.200000 Total energy: -1210.736189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1210.736189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1210.736189 (E_RNA) where: Base-Base interactions energy: -773.395 where: short stacking energy: -347.378 Base-Backbone interact. energy: -2.178 local terms energy: -435.163252 where: bonds (distance) C4'-P energy: -103.078 bonds (distance) P-C4' energy: -111.828 flat angles C4'-P-C4' energy: -104.151 flat angles P-C4'-P energy: -63.655 tors. eta vs tors. theta energy: -52.450 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: 9 ===================================== Write number: 457 Temperature: 1.250000 Total energy: -892.726898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -892.726898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -892.726898 (E_RNA) where: Base-Base interactions energy: -485.071 where: short stacking energy: -232.756 Base-Backbone interact. energy: 1.841 local terms energy: -409.497210 where: bonds (distance) C4'-P energy: -129.310 bonds (distance) P-C4' energy: -105.863 flat angles C4'-P-C4' energy: -99.838 flat angles P-C4'-P energy: -56.041 tors. eta vs tors. theta energy: -18.445 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: 3 ===================================== Write number: 457 Temperature: 1.300000 Total energy: -663.661868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -663.661868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -663.661868 (E_RNA) where: Base-Base interactions energy: -274.827 where: short stacking energy: -157.904 Base-Backbone interact. energy: -1.302 local terms energy: -387.532910 where: bonds (distance) C4'-P energy: -106.849 bonds (distance) P-C4' energy: -116.032 flat angles C4'-P-C4' energy: -103.122 flat angles P-C4'-P energy: -73.839 tors. eta vs tors. theta energy: 12.309 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 457 Temperature: 1.350000 Total energy: -506.362476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -506.362476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -506.362476 (E_RNA) where: Base-Base interactions energy: -187.614 where: short stacking energy: -118.133 Base-Backbone interact. energy: -1.865 local terms energy: -316.883362 where: bonds (distance) C4'-P energy: -118.096 bonds (distance) P-C4' energy: -106.771 flat angles C4'-P-C4' energy: -114.997 flat angles P-C4'-P energy: -31.341 tors. eta vs tors. theta energy: 54.323 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: 8 ===================================== Write number: 458 Temperature: 0.900000 Total energy: -2325.380071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2325.380071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2325.380071 (E_RNA) where: Base-Base interactions energy: -1578.497 where: short stacking energy: -650.239 Base-Backbone interact. energy: -1.887 local terms energy: -744.995888 where: bonds (distance) C4'-P energy: -139.826 bonds (distance) P-C4' energy: -135.368 flat angles C4'-P-C4' energy: -165.448 flat angles P-C4'-P energy: -106.428 tors. eta vs tors. theta energy: -197.927 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 458 Temperature: 0.950000 Total energy: -2189.405293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2189.405293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2189.405293 (E_RNA) where: Base-Base interactions energy: -1472.127 where: short stacking energy: -627.974 Base-Backbone interact. energy: -1.699 local terms energy: -715.578931 where: bonds (distance) C4'-P energy: -134.210 bonds (distance) P-C4' energy: -126.520 flat angles C4'-P-C4' energy: -159.504 flat angles P-C4'-P energy: -92.370 tors. eta vs tors. theta energy: -202.975 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 458 Temperature: 1.000000 Total energy: -2116.200417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2116.200417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2116.200417 (E_RNA) where: Base-Base interactions energy: -1407.001 where: short stacking energy: -620.873 Base-Backbone interact. energy: 0.651 local terms energy: -709.850558 where: bonds (distance) C4'-P energy: -132.043 bonds (distance) P-C4' energy: -122.772 flat angles C4'-P-C4' energy: -157.324 flat angles P-C4'-P energy: -106.971 tors. eta vs tors. theta energy: -190.740 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 458 Temperature: 1.050000 Total energy: -2020.200136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2020.200136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2020.200136 (E_RNA) where: Base-Base interactions energy: -1355.759 where: short stacking energy: -577.327 Base-Backbone interact. energy: -3.104 local terms energy: -661.336583 where: bonds (distance) C4'-P energy: -114.851 bonds (distance) P-C4' energy: -133.418 flat angles C4'-P-C4' energy: -139.583 flat angles P-C4'-P energy: -96.974 tors. eta vs tors. theta energy: -176.511 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 458 Temperature: 1.100000 Total energy: -1819.917399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1819.917399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1819.917399 (E_RNA) where: Base-Base interactions energy: -1214.163 where: short stacking energy: -521.217 Base-Backbone interact. energy: -2.594 local terms energy: -603.160416 where: bonds (distance) C4'-P energy: -115.206 bonds (distance) P-C4' energy: -138.268 flat angles C4'-P-C4' energy: -110.607 flat angles P-C4'-P energy: -85.614 tors. eta vs tors. theta energy: -153.467 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 458 Temperature: 1.150000 Total energy: -1587.128720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1587.128720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1587.128720 (E_RNA) where: Base-Base interactions energy: -1009.861 where: short stacking energy: -460.259 Base-Backbone interact. energy: -0.325 local terms energy: -577.910659 where: bonds (distance) C4'-P energy: -114.936 bonds (distance) P-C4' energy: -134.084 flat angles C4'-P-C4' energy: -124.314 flat angles P-C4'-P energy: -86.335 tors. eta vs tors. theta energy: -118.241 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.967 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 458 Temperature: 1.200000 Total energy: -1174.947469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1174.947469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1174.947469 (E_RNA) where: Base-Base interactions energy: -711.641 where: short stacking energy: -316.139 Base-Backbone interact. energy: -0.373 local terms energy: -462.933614 where: bonds (distance) C4'-P energy: -103.154 bonds (distance) P-C4' energy: -111.415 flat angles C4'-P-C4' energy: -119.723 flat angles P-C4'-P energy: -60.353 tors. eta vs tors. theta energy: -68.289 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 458 Temperature: 1.250000 Total energy: -911.141610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -911.141610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -911.141610 (E_RNA) where: Base-Base interactions energy: -496.457 where: short stacking energy: -247.282 Base-Backbone interact. energy: -3.518 local terms energy: -411.167110 where: bonds (distance) C4'-P energy: -109.982 bonds (distance) P-C4' energy: -112.215 flat angles C4'-P-C4' energy: -105.885 flat angles P-C4'-P energy: -67.058 tors. eta vs tors. theta energy: -16.028 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 458 Temperature: 1.300000 Total energy: -652.816603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -652.816603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -652.816603 (E_RNA) where: Base-Base interactions energy: -262.029 where: short stacking energy: -172.651 Base-Backbone interact. energy: 1.157 local terms energy: -391.945179 where: bonds (distance) C4'-P energy: -97.623 bonds (distance) P-C4' energy: -126.071 flat angles C4'-P-C4' energy: -103.807 flat angles P-C4'-P energy: -68.028 tors. eta vs tors. theta energy: 3.585 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 458 Temperature: 1.350000 Total energy: -526.790273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -526.790273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.790273 (E_RNA) where: Base-Base interactions energy: -173.191 where: short stacking energy: -124.005 Base-Backbone interact. energy: 0.380 local terms energy: -353.979772 where: bonds (distance) C4'-P energy: -98.776 bonds (distance) P-C4' energy: -121.495 flat angles C4'-P-C4' energy: -87.135 flat angles P-C4'-P energy: -57.579 tors. eta vs tors. theta energy: 11.005 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: 1, replica: 8 ===================================== Write number: 459 Temperature: 0.900000 Total energy: -2301.335324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2301.335324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2301.335324 (E_RNA) where: Base-Base interactions energy: -1577.151 where: short stacking energy: -615.734 Base-Backbone interact. energy: -0.001 local terms energy: -724.183083 where: bonds (distance) C4'-P energy: -139.103 bonds (distance) P-C4' energy: -126.362 flat angles C4'-P-C4' energy: -152.640 flat angles P-C4'-P energy: -94.664 tors. eta vs tors. theta energy: -211.414 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 459 Temperature: 0.950000 Total energy: -2231.974154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2231.974154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2231.974154 (E_RNA) where: Base-Base interactions energy: -1528.833 where: short stacking energy: -636.051 Base-Backbone interact. energy: -3.196 local terms energy: -699.944593 where: bonds (distance) C4'-P energy: -131.439 bonds (distance) P-C4' energy: -128.111 flat angles C4'-P-C4' energy: -137.730 flat angles P-C4'-P energy: -93.694 tors. eta vs tors. theta energy: -208.971 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 459 Temperature: 1.000000 Total energy: -2163.978672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2163.978672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2163.978672 (E_RNA) where: Base-Base interactions energy: -1485.418 where: short stacking energy: -634.564 Base-Backbone interact. energy: -2.597 local terms energy: -675.962970 where: bonds (distance) C4'-P energy: -112.130 bonds (distance) P-C4' energy: -132.023 flat angles C4'-P-C4' energy: -147.221 flat angles P-C4'-P energy: -96.761 tors. eta vs tors. theta energy: -187.828 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 459 Temperature: 1.050000 Total energy: -2042.922963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2042.922963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2042.922963 (E_RNA) where: Base-Base interactions energy: -1364.759 where: short stacking energy: -583.295 Base-Backbone interact. energy: -2.389 local terms energy: -675.775618 where: bonds (distance) C4'-P energy: -121.921 bonds (distance) P-C4' energy: -131.626 flat angles C4'-P-C4' energy: -137.103 flat angles P-C4'-P energy: -96.561 tors. eta vs tors. theta energy: -188.564 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 459 Temperature: 1.100000 Total energy: -1845.517117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1845.517117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1845.517117 (E_RNA) where: Base-Base interactions energy: -1207.424 where: short stacking energy: -528.112 Base-Backbone interact. energy: 0.846 local terms energy: -638.938687 where: bonds (distance) C4'-P energy: -122.792 bonds (distance) P-C4' energy: -120.648 flat angles C4'-P-C4' energy: -135.027 flat angles P-C4'-P energy: -92.567 tors. eta vs tors. theta energy: -167.905 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 459 Temperature: 1.150000 Total energy: -1561.152921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1561.152921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1561.152921 (E_RNA) where: Base-Base interactions energy: -1006.756 where: short stacking energy: -440.144 Base-Backbone interact. energy: -2.149 local terms energy: -552.247977 where: bonds (distance) C4'-P energy: -115.178 bonds (distance) P-C4' energy: -114.574 flat angles C4'-P-C4' energy: -133.212 flat angles P-C4'-P energy: -67.929 tors. eta vs tors. theta energy: -121.356 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 459 Temperature: 1.200000 Total energy: -1248.283867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1248.283867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1248.283867 (E_RNA) where: Base-Base interactions energy: -793.795 where: short stacking energy: -322.504 Base-Backbone interact. energy: -3.367 local terms energy: -451.121353 where: bonds (distance) C4'-P energy: -89.338 bonds (distance) P-C4' energy: -120.075 flat angles C4'-P-C4' energy: -109.857 flat angles P-C4'-P energy: -75.517 tors. eta vs tors. theta energy: -56.335 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: 8, replica: 9 ===================================== Write number: 459 Temperature: 1.250000 Total energy: -871.844002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -871.844002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -871.844002 (E_RNA) where: Base-Base interactions energy: -441.667 where: short stacking energy: -217.869 Base-Backbone interact. energy: 1.596 local terms energy: -431.773201 where: bonds (distance) C4'-P energy: -125.313 bonds (distance) P-C4' energy: -120.862 flat angles C4'-P-C4' energy: -116.831 flat angles P-C4'-P energy: -67.648 tors. eta vs tors. theta energy: -1.119 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 459 Temperature: 1.300000 Total energy: -627.420500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -627.420500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -627.420500 (E_RNA) where: Base-Base interactions energy: -279.200 where: short stacking energy: -175.810 Base-Backbone interact. energy: 4.438 local terms energy: -352.658272 where: bonds (distance) C4'-P energy: -94.590 bonds (distance) P-C4' energy: -118.685 flat angles C4'-P-C4' energy: -96.545 flat angles P-C4'-P energy: -53.237 tors. eta vs tors. theta energy: 10.399 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 459 Temperature: 1.350000 Total energy: -626.688243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -626.688243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -626.688243 (E_RNA) where: Base-Base interactions energy: -294.988 where: short stacking energy: -177.223 Base-Backbone interact. energy: 4.162 local terms energy: -335.862179 where: bonds (distance) C4'-P energy: -86.183 bonds (distance) P-C4' energy: -116.497 flat angles C4'-P-C4' energy: -88.973 flat angles P-C4'-P energy: -45.532 tors. eta vs tors. theta energy: 1.323 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: 8 ===================================== Write number: 460 Temperature: 0.900000 Total energy: -2320.505411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2320.505411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2320.505411 (E_RNA) where: Base-Base interactions energy: -1606.065 where: short stacking energy: -641.099 Base-Backbone interact. energy: -3.104 local terms energy: -711.336034 where: bonds (distance) C4'-P energy: -120.297 bonds (distance) P-C4' energy: -132.897 flat angles C4'-P-C4' energy: -147.080 flat angles P-C4'-P energy: -102.832 tors. eta vs tors. theta energy: -208.231 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 460 Temperature: 0.950000 Total energy: -2257.586205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2257.586205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2257.586205 (E_RNA) where: Base-Base interactions energy: -1530.692 where: short stacking energy: -622.307 Base-Backbone interact. energy: -3.188 local terms energy: -723.707057 where: bonds (distance) C4'-P energy: -140.883 bonds (distance) P-C4' energy: -139.633 flat angles C4'-P-C4' energy: -149.797 flat angles P-C4'-P energy: -90.263 tors. eta vs tors. theta energy: -203.132 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 460 Temperature: 1.000000 Total energy: -2100.043696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2100.043696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2100.043696 (E_RNA) where: Base-Base interactions energy: -1438.247 where: short stacking energy: -603.167 Base-Backbone interact. energy: 0.039 local terms energy: -661.835743 where: bonds (distance) C4'-P energy: -107.492 bonds (distance) P-C4' energy: -132.197 flat angles C4'-P-C4' energy: -144.912 flat angles P-C4'-P energy: -92.906 tors. eta vs tors. theta energy: -184.328 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 460 Temperature: 1.050000 Total energy: -2089.334870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2089.334870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2089.334870 (E_RNA) where: Base-Base interactions energy: -1426.706 where: short stacking energy: -579.820 Base-Backbone interact. energy: -0.740 local terms energy: -661.888752 where: bonds (distance) C4'-P energy: -115.430 bonds (distance) P-C4' energy: -123.799 flat angles C4'-P-C4' energy: -143.587 flat angles P-C4'-P energy: -92.774 tors. eta vs tors. theta energy: -186.299 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 460 Temperature: 1.100000 Total energy: -1802.642624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1802.642624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1802.642624 (E_RNA) where: Base-Base interactions energy: -1203.299 where: short stacking energy: -529.800 Base-Backbone interact. energy: -0.926 local terms energy: -598.417333 where: bonds (distance) C4'-P energy: -109.797 bonds (distance) P-C4' energy: -122.130 flat angles C4'-P-C4' energy: -131.844 flat angles P-C4'-P energy: -80.856 tors. eta vs tors. theta energy: -153.791 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: 10 ===================================== Write number: 460 Temperature: 1.150000 Total energy: -1614.014935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1614.014935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1614.014935 (E_RNA) where: Base-Base interactions energy: -1034.928 where: short stacking energy: -442.586 Base-Backbone interact. energy: 4.416 local terms energy: -583.502899 where: bonds (distance) C4'-P energy: -119.397 bonds (distance) P-C4' energy: -122.586 flat angles C4'-P-C4' energy: -133.776 flat angles P-C4'-P energy: -78.088 tors. eta vs tors. theta energy: -129.657 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: 1 ===================================== Write number: 460 Temperature: 1.200000 Total energy: -1273.621789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1273.621789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1273.621789 (E_RNA) where: Base-Base interactions energy: -803.077 where: short stacking energy: -340.043 Base-Backbone interact. energy: -4.738 local terms energy: -465.806549 where: bonds (distance) C4'-P energy: -107.186 bonds (distance) P-C4' energy: -130.448 flat angles C4'-P-C4' energy: -114.597 flat angles P-C4'-P energy: -50.115 tors. eta vs tors. theta energy: -63.461 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 460 Temperature: 1.250000 Total energy: -793.831395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -793.831395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -793.831395 (E_RNA) where: Base-Base interactions energy: -403.709 where: short stacking energy: -220.612 Base-Backbone interact. energy: -0.934 local terms energy: -389.188155 where: bonds (distance) C4'-P energy: -112.853 bonds (distance) P-C4' energy: -112.484 flat angles C4'-P-C4' energy: -96.415 flat angles P-C4'-P energy: -49.695 tors. eta vs tors. theta energy: -17.742 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 460 Temperature: 1.300000 Total energy: -613.612110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -613.612110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -613.612110 (E_RNA) where: Base-Base interactions energy: -241.075 where: short stacking energy: -169.707 Base-Backbone interact. energy: -1.449 local terms energy: -371.087901 where: bonds (distance) C4'-P energy: -91.394 bonds (distance) P-C4' energy: -123.448 flat angles C4'-P-C4' energy: -97.980 flat angles P-C4'-P energy: -51.699 tors. eta vs tors. theta energy: -6.567 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 460 Temperature: 1.350000 Total energy: -612.501943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -612.501943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -612.501943 (E_RNA) where: Base-Base interactions energy: -256.171 where: short stacking energy: -169.167 Base-Backbone interact. energy: 2.124 local terms energy: -358.455043 where: bonds (distance) C4'-P energy: -109.920 bonds (distance) P-C4' energy: -107.812 flat angles C4'-P-C4' energy: -111.172 flat angles P-C4'-P energy: -42.759 tors. eta vs tors. theta energy: 13.208 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 461 Temperature: 0.900000 Total energy: -2284.843730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2284.843730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2284.843730 (E_RNA) where: Base-Base interactions energy: -1536.712 where: short stacking energy: -630.921 Base-Backbone interact. energy: -2.037 local terms energy: -746.095264 where: bonds (distance) C4'-P energy: -139.067 bonds (distance) P-C4' energy: -140.264 flat angles C4'-P-C4' energy: -157.843 flat angles P-C4'-P energy: -104.097 tors. eta vs tors. theta energy: -204.824 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 461 Temperature: 0.950000 Total energy: -2204.055472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2204.055472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2204.055472 (E_RNA) where: Base-Base interactions energy: -1493.676 where: short stacking energy: -640.582 Base-Backbone interact. energy: -1.260 local terms energy: -709.119251 where: bonds (distance) C4'-P energy: -122.516 bonds (distance) P-C4' energy: -127.146 flat angles C4'-P-C4' energy: -152.823 flat angles P-C4'-P energy: -100.155 tors. eta vs tors. theta energy: -206.478 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: 6 ===================================== Write number: 461 Temperature: 1.000000 Total energy: -2120.550952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2120.550952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2120.550952 (E_RNA) where: Base-Base interactions energy: -1433.886 where: short stacking energy: -614.084 Base-Backbone interact. energy: -2.860 local terms energy: -683.805649 where: bonds (distance) C4'-P energy: -123.560 bonds (distance) P-C4' energy: -128.735 flat angles C4'-P-C4' energy: -147.571 flat angles P-C4'-P energy: -91.730 tors. eta vs tors. theta energy: -192.211 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: 7 ===================================== Write number: 461 Temperature: 1.050000 Total energy: -2054.035706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2054.035706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2054.035706 (E_RNA) where: Base-Base interactions energy: -1398.150 where: short stacking energy: -600.504 Base-Backbone interact. energy: -2.578 local terms energy: -653.307404 where: bonds (distance) C4'-P energy: -117.946 bonds (distance) P-C4' energy: -119.843 flat angles C4'-P-C4' energy: -138.152 flat angles P-C4'-P energy: -83.540 tors. eta vs tors. theta energy: -193.827 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 461 Temperature: 1.100000 Total energy: -1804.755669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1804.755669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1804.755669 (E_RNA) where: Base-Base interactions energy: -1213.914 where: short stacking energy: -524.406 Base-Backbone interact. energy: 1.294 local terms energy: -592.135234 where: bonds (distance) C4'-P energy: -122.864 bonds (distance) P-C4' energy: -122.664 flat angles C4'-P-C4' energy: -115.750 flat angles P-C4'-P energy: -86.020 tors. eta vs tors. theta energy: -144.837 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 461 Temperature: 1.150000 Total energy: -1547.194261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1547.194261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1547.194261 (E_RNA) where: Base-Base interactions energy: -990.108 where: short stacking energy: -393.946 Base-Backbone interact. energy: -0.695 local terms energy: -556.391328 where: bonds (distance) C4'-P energy: -119.576 bonds (distance) P-C4' energy: -112.353 flat angles C4'-P-C4' energy: -132.185 flat angles P-C4'-P energy: -76.706 tors. eta vs tors. theta energy: -115.572 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 461 Temperature: 1.200000 Total energy: -1274.906645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1274.906645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1274.906645 (E_RNA) where: Base-Base interactions energy: -796.701 where: short stacking energy: -356.892 Base-Backbone interact. energy: 1.483 local terms energy: -479.688379 where: bonds (distance) C4'-P energy: -115.742 bonds (distance) P-C4' energy: -109.406 flat angles C4'-P-C4' energy: -103.816 flat angles P-C4'-P energy: -69.015 tors. eta vs tors. theta energy: -81.710 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 461 Temperature: 1.250000 Total energy: -798.610455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -798.610455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -798.610455 (E_RNA) where: Base-Base interactions energy: -406.497 where: short stacking energy: -218.396 Base-Backbone interact. energy: 1.620 local terms energy: -393.733480 where: bonds (distance) C4'-P energy: -124.306 bonds (distance) P-C4' energy: -109.216 flat angles C4'-P-C4' energy: -90.436 flat angles P-C4'-P energy: -63.397 tors. eta vs tors. theta energy: -6.378 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 461 Temperature: 1.300000 Total energy: -605.114196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -605.114196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -605.114196 (E_RNA) where: Base-Base interactions energy: -238.522 where: short stacking energy: -153.401 Base-Backbone interact. energy: -2.971 local terms energy: -363.621100 where: bonds (distance) C4'-P energy: -110.218 bonds (distance) P-C4' energy: -87.320 flat angles C4'-P-C4' energy: -108.584 flat angles P-C4'-P energy: -71.478 tors. eta vs tors. theta energy: 13.978 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 461 Temperature: 1.350000 Total energy: -575.068219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -575.068219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -575.068219 (E_RNA) where: Base-Base interactions energy: -243.515 where: short stacking energy: -158.119 Base-Backbone interact. energy: 3.877 local terms energy: -335.429786 where: bonds (distance) C4'-P energy: -107.492 bonds (distance) P-C4' energy: -113.789 flat angles C4'-P-C4' energy: -87.206 flat angles P-C4'-P energy: -48.142 tors. eta vs tors. theta energy: 21.200 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 462 Temperature: 0.900000 Total energy: -2312.800724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2312.800724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2312.800724 (E_RNA) where: Base-Base interactions energy: -1567.340 where: short stacking energy: -638.744 Base-Backbone interact. energy: -1.506 local terms energy: -743.955016 where: bonds (distance) C4'-P energy: -131.764 bonds (distance) P-C4' energy: -133.729 flat angles C4'-P-C4' energy: -157.670 flat angles P-C4'-P energy: -105.866 tors. eta vs tors. theta energy: -214.927 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 462 Temperature: 0.950000 Total energy: -2189.067146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2189.067146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2189.067146 (E_RNA) where: Base-Base interactions energy: -1477.262 where: short stacking energy: -615.466 Base-Backbone interact. energy: -1.964 local terms energy: -709.840968 where: bonds (distance) C4'-P energy: -113.506 bonds (distance) P-C4' energy: -147.142 flat angles C4'-P-C4' energy: -154.141 flat angles P-C4'-P energy: -99.743 tors. eta vs tors. theta energy: -195.308 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 462 Temperature: 1.000000 Total energy: -2135.148184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2135.148184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2135.148184 (E_RNA) where: Base-Base interactions energy: -1452.235 where: short stacking energy: -637.565 Base-Backbone interact. energy: -1.315 local terms energy: -681.598459 where: bonds (distance) C4'-P energy: -134.534 bonds (distance) P-C4' energy: -130.900 flat angles C4'-P-C4' energy: -135.260 flat angles P-C4'-P energy: -88.148 tors. eta vs tors. theta energy: -192.757 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: 7 ===================================== Write number: 462 Temperature: 1.050000 Total energy: -2085.634558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2085.634558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2085.634558 (E_RNA) where: Base-Base interactions energy: -1400.743 where: short stacking energy: -604.587 Base-Backbone interact. energy: -1.123 local terms energy: -683.768558 where: bonds (distance) C4'-P energy: -118.397 bonds (distance) P-C4' energy: -114.424 flat angles C4'-P-C4' energy: -149.105 flat angles P-C4'-P energy: -103.070 tors. eta vs tors. theta energy: -198.773 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 462 Temperature: 1.100000 Total energy: -1814.917822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1814.917822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1814.917822 (E_RNA) where: Base-Base interactions energy: -1215.904 where: short stacking energy: -524.925 Base-Backbone interact. energy: -3.887 local terms energy: -595.127086 where: bonds (distance) C4'-P energy: -129.497 bonds (distance) P-C4' energy: -121.467 flat angles C4'-P-C4' energy: -126.864 flat angles P-C4'-P energy: -63.985 tors. eta vs tors. theta energy: -153.313 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 462 Temperature: 1.150000 Total energy: -1633.989403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1633.989403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1633.989403 (E_RNA) where: Base-Base interactions energy: -1079.940 where: short stacking energy: -476.550 Base-Backbone interact. energy: -2.040 local terms energy: -552.009957 where: bonds (distance) C4'-P energy: -99.979 bonds (distance) P-C4' energy: -120.574 flat angles C4'-P-C4' energy: -113.433 flat angles P-C4'-P energy: -82.005 tors. eta vs tors. theta energy: -136.019 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 462 Temperature: 1.200000 Total energy: -1328.445187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1328.445187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1328.445187 (E_RNA) where: Base-Base interactions energy: -851.689 where: short stacking energy: -344.707 Base-Backbone interact. energy: -2.253 local terms energy: -474.503271 where: bonds (distance) C4'-P energy: -109.759 bonds (distance) P-C4' energy: -128.023 flat angles C4'-P-C4' energy: -109.808 flat angles P-C4'-P energy: -76.182 tors. eta vs tors. theta energy: -50.732 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 462 Temperature: 1.250000 Total energy: -864.459843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -864.459843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -864.459843 (E_RNA) where: Base-Base interactions energy: -452.065 where: short stacking energy: -245.458 Base-Backbone interact. energy: -0.849 local terms energy: -411.545550 where: bonds (distance) C4'-P energy: -109.721 bonds (distance) P-C4' energy: -132.830 flat angles C4'-P-C4' energy: -92.717 flat angles P-C4'-P energy: -40.521 tors. eta vs tors. theta energy: -35.756 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 462 Temperature: 1.300000 Total energy: -669.907520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -669.907520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -669.907520 (E_RNA) where: Base-Base interactions energy: -306.362 where: short stacking energy: -194.278 Base-Backbone interact. energy: -1.761 local terms energy: -361.785074 where: bonds (distance) C4'-P energy: -113.779 bonds (distance) P-C4' energy: -104.494 flat angles C4'-P-C4' energy: -109.382 flat angles P-C4'-P energy: -53.793 tors. eta vs tors. theta energy: 19.663 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: 4 ===================================== Write number: 462 Temperature: 1.350000 Total energy: -562.405283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -562.405283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -562.405283 (E_RNA) where: Base-Base interactions energy: -216.946 where: short stacking energy: -129.318 Base-Backbone interact. energy: 2.547 local terms energy: -348.005760 where: bonds (distance) C4'-P energy: -110.821 bonds (distance) P-C4' energy: -105.101 flat angles C4'-P-C4' energy: -110.325 flat angles P-C4'-P energy: -49.513 tors. eta vs tors. theta energy: 27.754 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: 8 ===================================== Write number: 463 Temperature: 0.900000 Total energy: -2302.046914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2302.046914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2302.046914 (E_RNA) where: Base-Base interactions energy: -1584.010 where: short stacking energy: -647.717 Base-Backbone interact. energy: -2.308 local terms energy: -715.729478 where: bonds (distance) C4'-P energy: -126.909 bonds (distance) P-C4' energy: -131.035 flat angles C4'-P-C4' energy: -146.178 flat angles P-C4'-P energy: -104.489 tors. eta vs tors. theta energy: -207.120 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 463 Temperature: 0.950000 Total energy: -2159.394778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2159.394778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2159.394778 (E_RNA) where: Base-Base interactions energy: -1460.391 where: short stacking energy: -651.465 Base-Backbone interact. energy: -0.288 local terms energy: -698.715208 where: bonds (distance) C4'-P energy: -105.098 bonds (distance) P-C4' energy: -134.781 flat angles C4'-P-C4' energy: -150.905 flat angles P-C4'-P energy: -98.874 tors. eta vs tors. theta energy: -209.057 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: 2 ===================================== Write number: 463 Temperature: 1.000000 Total energy: -2098.414064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2098.414064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2098.414064 (E_RNA) where: Base-Base interactions energy: -1408.248 where: short stacking energy: -592.235 Base-Backbone interact. energy: -0.935 local terms energy: -689.230670 where: bonds (distance) C4'-P energy: -137.573 bonds (distance) P-C4' energy: -122.253 flat angles C4'-P-C4' energy: -149.980 flat angles P-C4'-P energy: -94.579 tors. eta vs tors. theta energy: -184.846 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: 7 ===================================== Write number: 463 Temperature: 1.050000 Total energy: -2057.185268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2057.185268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2057.185268 (E_RNA) where: Base-Base interactions energy: -1418.076 where: short stacking energy: -623.408 Base-Backbone interact. energy: -0.386 local terms energy: -638.723065 where: bonds (distance) C4'-P energy: -104.162 bonds (distance) P-C4' energy: -114.145 flat angles C4'-P-C4' energy: -135.173 flat angles P-C4'-P energy: -90.943 tors. eta vs tors. theta energy: -194.300 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 463 Temperature: 1.100000 Total energy: -1797.731016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1797.731016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1797.731016 (E_RNA) where: Base-Base interactions energy: -1199.030 where: short stacking energy: -520.620 Base-Backbone interact. energy: -3.396 local terms energy: -595.305383 where: bonds (distance) C4'-P energy: -116.868 bonds (distance) P-C4' energy: -112.041 flat angles C4'-P-C4' energy: -123.161 flat angles P-C4'-P energy: -91.179 tors. eta vs tors. theta energy: -152.056 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 463 Temperature: 1.150000 Total energy: -1607.951030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1607.951030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1607.951030 (E_RNA) where: Base-Base interactions energy: -1026.827 where: short stacking energy: -435.808 Base-Backbone interact. energy: -0.750 local terms energy: -580.374159 where: bonds (distance) C4'-P energy: -120.949 bonds (distance) P-C4' energy: -124.794 flat angles C4'-P-C4' energy: -124.983 flat angles P-C4'-P energy: -78.751 tors. eta vs tors. theta energy: -130.896 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 463 Temperature: 1.200000 Total energy: -1388.805850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1388.805850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1388.805850 (E_RNA) where: Base-Base interactions energy: -849.484 where: short stacking energy: -377.158 Base-Backbone interact. energy: -3.250 local terms energy: -536.071746 where: bonds (distance) C4'-P energy: -113.864 bonds (distance) P-C4' energy: -119.017 flat angles C4'-P-C4' energy: -120.104 flat angles P-C4'-P energy: -90.806 tors. eta vs tors. theta energy: -92.281 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 463 Temperature: 1.250000 Total energy: -931.510261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -931.510261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -931.510261 (E_RNA) where: Base-Base interactions energy: -511.497 where: short stacking energy: -255.407 Base-Backbone interact. energy: 0.754 local terms energy: -420.766810 where: bonds (distance) C4'-P energy: -111.937 bonds (distance) P-C4' energy: -111.041 flat angles C4'-P-C4' energy: -122.714 flat angles P-C4'-P energy: -44.617 tors. eta vs tors. theta energy: -30.458 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 463 Temperature: 1.300000 Total energy: -649.941908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -649.941908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -649.941908 (E_RNA) where: Base-Base interactions energy: -270.822 where: short stacking energy: -173.626 Base-Backbone interact. energy: 0.288 local terms energy: -379.408293 where: bonds (distance) C4'-P energy: -104.797 bonds (distance) P-C4' energy: -121.108 flat angles C4'-P-C4' energy: -99.000 flat angles P-C4'-P energy: -61.662 tors. eta vs tors. theta energy: 7.160 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 463 Temperature: 1.350000 Total energy: -562.539453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -562.539453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -562.539453 (E_RNA) where: Base-Base interactions energy: -218.255 where: short stacking energy: -137.016 Base-Backbone interact. energy: 0.473 local terms energy: -344.757127 where: bonds (distance) C4'-P energy: -99.406 bonds (distance) P-C4' energy: -112.367 flat angles C4'-P-C4' energy: -103.164 flat angles P-C4'-P energy: -56.888 tors. eta vs tors. theta energy: 27.068 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: 8 ===================================== Write number: 464 Temperature: 0.900000 Total energy: -2315.862304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2315.862304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2315.862304 (E_RNA) where: Base-Base interactions energy: -1593.179 where: short stacking energy: -657.485 Base-Backbone interact. energy: -1.049 local terms energy: -721.633880 where: bonds (distance) C4'-P energy: -129.933 bonds (distance) P-C4' energy: -135.565 flat angles C4'-P-C4' energy: -146.839 flat angles P-C4'-P energy: -98.188 tors. eta vs tors. theta energy: -211.110 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: 6 ===================================== Write number: 464 Temperature: 0.950000 Total energy: -2192.029343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2192.029343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2192.029343 (E_RNA) where: Base-Base interactions energy: -1468.187 where: short stacking energy: -639.301 Base-Backbone interact. energy: -1.144 local terms energy: -722.698203 where: bonds (distance) C4'-P energy: -117.704 bonds (distance) P-C4' energy: -136.311 flat angles C4'-P-C4' energy: -147.126 flat angles P-C4'-P energy: -113.266 tors. eta vs tors. theta energy: -208.291 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: 3, replica: 2 ===================================== Write number: 464 Temperature: 1.000000 Total energy: -2151.907273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2151.907273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2151.907273 (E_RNA) where: Base-Base interactions energy: -1457.125 where: short stacking energy: -593.726 Base-Backbone interact. energy: 0.398 local terms energy: -695.179850 where: bonds (distance) C4'-P energy: -130.492 bonds (distance) P-C4' energy: -137.275 flat angles C4'-P-C4' energy: -147.037 flat angles P-C4'-P energy: -85.113 tors. eta vs tors. theta energy: -195.263 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 464 Temperature: 1.050000 Total energy: -2081.088459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2081.088459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2081.088459 (E_RNA) where: Base-Base interactions energy: -1406.217 where: short stacking energy: -593.848 Base-Backbone interact. energy: -1.141 local terms energy: -673.730119 where: bonds (distance) C4'-P energy: -130.941 bonds (distance) P-C4' energy: -112.707 flat angles C4'-P-C4' energy: -148.204 flat angles P-C4'-P energy: -88.881 tors. eta vs tors. theta energy: -192.998 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 464 Temperature: 1.100000 Total energy: -1778.005408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1778.005408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1778.005408 (E_RNA) where: Base-Base interactions energy: -1171.463 where: short stacking energy: -530.519 Base-Backbone interact. energy: -1.560 local terms energy: -604.982101 where: bonds (distance) C4'-P energy: -126.336 bonds (distance) P-C4' energy: -122.164 flat angles C4'-P-C4' energy: -119.866 flat angles P-C4'-P energy: -81.193 tors. eta vs tors. theta energy: -155.423 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 464 Temperature: 1.150000 Total energy: -1543.529519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1543.529519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1543.529519 (E_RNA) where: Base-Base interactions energy: -998.500 where: short stacking energy: -434.072 Base-Backbone interact. energy: -1.198 local terms energy: -543.831610 where: bonds (distance) C4'-P energy: -116.475 bonds (distance) P-C4' energy: -101.181 flat angles C4'-P-C4' energy: -125.821 flat angles P-C4'-P energy: -85.770 tors. eta vs tors. theta energy: -114.584 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 464 Temperature: 1.200000 Total energy: -1401.465419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1401.465419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1401.465419 (E_RNA) where: Base-Base interactions energy: -908.521 where: short stacking energy: -379.734 Base-Backbone interact. energy: 4.497 local terms energy: -497.442013 where: bonds (distance) C4'-P energy: -107.719 bonds (distance) P-C4' energy: -92.938 flat angles C4'-P-C4' energy: -123.974 flat angles P-C4'-P energy: -77.540 tors. eta vs tors. theta energy: -95.271 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 464 Temperature: 1.250000 Total energy: -988.402001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -988.402001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -988.402001 (E_RNA) where: Base-Base interactions energy: -544.588 where: short stacking energy: -272.341 Base-Backbone interact. energy: 3.817 local terms energy: -447.630996 where: bonds (distance) C4'-P energy: -108.247 bonds (distance) P-C4' energy: -105.859 flat angles C4'-P-C4' energy: -122.573 flat angles P-C4'-P energy: -74.351 tors. eta vs tors. theta energy: -36.602 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 464 Temperature: 1.300000 Total energy: -677.394871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -677.394871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -677.394871 (E_RNA) where: Base-Base interactions energy: -294.784 where: short stacking energy: -193.007 Base-Backbone interact. energy: -0.772 local terms energy: -381.838320 where: bonds (distance) C4'-P energy: -103.331 bonds (distance) P-C4' energy: -138.699 flat angles C4'-P-C4' energy: -86.000 flat angles P-C4'-P energy: -53.628 tors. eta vs tors. theta energy: -0.181 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: 10, replica: 4 ===================================== Write number: 464 Temperature: 1.350000 Total energy: -573.164759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -573.164759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -573.164759 (E_RNA) where: Base-Base interactions energy: -247.684 where: short stacking energy: -166.186 Base-Backbone interact. energy: 5.073 local terms energy: -330.553221 where: bonds (distance) C4'-P energy: -109.308 bonds (distance) P-C4' energy: -118.582 flat angles C4'-P-C4' energy: -70.121 flat angles P-C4'-P energy: -54.370 tors. eta vs tors. theta energy: 21.828 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 465 Temperature: 0.900000 Total energy: -2311.311296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2311.311296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2311.311296 (E_RNA) where: Base-Base interactions energy: -1591.357 where: short stacking energy: -656.476 Base-Backbone interact. energy: -3.451 local terms energy: -716.503276 where: bonds (distance) C4'-P energy: -121.911 bonds (distance) P-C4' energy: -137.207 flat angles C4'-P-C4' energy: -142.738 flat angles P-C4'-P energy: -108.942 tors. eta vs tors. theta energy: -205.706 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 465 Temperature: 0.950000 Total energy: -2196.821035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2196.821035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2196.821035 (E_RNA) where: Base-Base interactions energy: -1484.587 where: short stacking energy: -655.320 Base-Backbone interact. energy: 0.255 local terms energy: -712.488404 where: bonds (distance) C4'-P energy: -131.932 bonds (distance) P-C4' energy: -135.212 flat angles C4'-P-C4' energy: -147.337 flat angles P-C4'-P energy: -95.934 tors. eta vs tors. theta energy: -202.073 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 465 Temperature: 1.000000 Total energy: -2134.415441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2134.415441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2134.415441 (E_RNA) where: Base-Base interactions energy: -1419.526 where: short stacking energy: -599.546 Base-Backbone interact. energy: -4.924 local terms energy: -709.965774 where: bonds (distance) C4'-P energy: -120.736 bonds (distance) P-C4' energy: -131.204 flat angles C4'-P-C4' energy: -148.676 flat angles P-C4'-P energy: -106.104 tors. eta vs tors. theta energy: -203.246 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: 7 ===================================== Write number: 465 Temperature: 1.050000 Total energy: -2078.378935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2078.378935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2078.378935 (E_RNA) where: Base-Base interactions energy: -1421.028 where: short stacking energy: -600.100 Base-Backbone interact. energy: 4.269 local terms energy: -661.620229 where: bonds (distance) C4'-P energy: -119.981 bonds (distance) P-C4' energy: -124.629 flat angles C4'-P-C4' energy: -144.958 flat angles P-C4'-P energy: -84.744 tors. eta vs tors. theta energy: -187.309 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: 465 Temperature: 1.100000 Total energy: -1769.997493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1769.997493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1769.997493 (E_RNA) where: Base-Base interactions energy: -1186.616 where: short stacking energy: -505.186 Base-Backbone interact. energy: 3.608 local terms energy: -586.989615 where: bonds (distance) C4'-P energy: -108.267 bonds (distance) P-C4' energy: -125.335 flat angles C4'-P-C4' energy: -130.241 flat angles P-C4'-P energy: -77.474 tors. eta vs tors. theta energy: -145.672 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: 6, replica: 10 ===================================== Write number: 465 Temperature: 1.150000 Total energy: -1541.590154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1541.590154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1541.590154 (E_RNA) where: Base-Base interactions energy: -1016.410 where: short stacking energy: -431.802 Base-Backbone interact. energy: -2.447 local terms energy: -522.733688 where: bonds (distance) C4'-P energy: -107.711 bonds (distance) P-C4' energy: -122.169 flat angles C4'-P-C4' energy: -111.799 flat angles P-C4'-P energy: -76.079 tors. eta vs tors. theta energy: -104.975 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 465 Temperature: 1.200000 Total energy: -1324.860409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1324.860409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1324.860409 (E_RNA) where: Base-Base interactions energy: -862.356 where: short stacking energy: -387.062 Base-Backbone interact. energy: 7.199 local terms energy: -469.703719 where: bonds (distance) C4'-P energy: -104.332 bonds (distance) P-C4' energy: -107.976 flat angles C4'-P-C4' energy: -120.990 flat angles P-C4'-P energy: -58.290 tors. eta vs tors. theta energy: -78.116 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 465 Temperature: 1.250000 Total energy: -946.113411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -946.113411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -946.113411 (E_RNA) where: Base-Base interactions energy: -528.397 where: short stacking energy: -272.553 Base-Backbone interact. energy: -0.945 local terms energy: -416.770999 where: bonds (distance) C4'-P energy: -93.581 bonds (distance) P-C4' energy: -111.423 flat angles C4'-P-C4' energy: -94.740 flat angles P-C4'-P energy: -69.076 tors. eta vs tors. theta energy: -47.951 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 465 Temperature: 1.300000 Total energy: -633.389224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -633.389224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -633.389224 (E_RNA) where: Base-Base interactions energy: -264.140 where: short stacking energy: -147.414 Base-Backbone interact. energy: -2.323 local terms energy: -366.926160 where: bonds (distance) C4'-P energy: -95.806 bonds (distance) P-C4' energy: -114.641 flat angles C4'-P-C4' energy: -105.632 flat angles P-C4'-P energy: -50.451 tors. eta vs tors. theta energy: -0.396 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: 4 ===================================== Write number: 465 Temperature: 1.350000 Total energy: -582.186087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -582.186087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -582.186087 (E_RNA) where: Base-Base interactions energy: -223.034 where: short stacking energy: -146.431 Base-Backbone interact. energy: -2.935 local terms energy: -356.217106 where: bonds (distance) C4'-P energy: -116.294 bonds (distance) P-C4' energy: -110.326 flat angles C4'-P-C4' energy: -92.810 flat angles P-C4'-P energy: -56.705 tors. eta vs tors. theta energy: 19.918 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: 8 ===================================== Write number: 466 Temperature: 0.900000 Total energy: -2292.369606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2292.369606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2292.369606 (E_RNA) where: Base-Base interactions energy: -1592.921 where: short stacking energy: -628.984 Base-Backbone interact. energy: -2.740 local terms energy: -696.708759 where: bonds (distance) C4'-P energy: -119.001 bonds (distance) P-C4' energy: -130.817 flat angles C4'-P-C4' energy: -154.325 flat angles P-C4'-P energy: -81.577 tors. eta vs tors. theta energy: -210.988 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 466 Temperature: 0.950000 Total energy: -2199.563743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2199.563743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2199.563743 (E_RNA) where: Base-Base interactions energy: -1489.823 where: short stacking energy: -648.787 Base-Backbone interact. energy: 0.423 local terms energy: -710.163118 where: bonds (distance) C4'-P energy: -125.620 bonds (distance) P-C4' energy: -131.345 flat angles C4'-P-C4' energy: -159.276 flat angles P-C4'-P energy: -86.973 tors. eta vs tors. theta energy: -206.949 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: 3, replica: 2 ===================================== Write number: 466 Temperature: 1.000000 Total energy: -2128.541514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2128.541514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2128.541514 (E_RNA) where: Base-Base interactions energy: -1425.876 where: short stacking energy: -578.682 Base-Backbone interact. energy: 0.356 local terms energy: -703.021081 where: bonds (distance) C4'-P energy: -135.918 bonds (distance) P-C4' energy: -133.402 flat angles C4'-P-C4' energy: -142.866 flat angles P-C4'-P energy: -98.619 tors. eta vs tors. theta energy: -192.216 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 466 Temperature: 1.050000 Total energy: -2046.684001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2046.684001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2046.684001 (E_RNA) where: Base-Base interactions energy: -1395.003 where: short stacking energy: -569.003 Base-Backbone interact. energy: -3.544 local terms energy: -648.136641 where: bonds (distance) C4'-P energy: -104.465 bonds (distance) P-C4' energy: -118.446 flat angles C4'-P-C4' energy: -153.226 flat angles P-C4'-P energy: -91.319 tors. eta vs tors. theta energy: -180.682 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: 466 Temperature: 1.100000 Total energy: -1815.580050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1815.580050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1815.580050 (E_RNA) where: Base-Base interactions energy: -1204.517 where: short stacking energy: -535.893 Base-Backbone interact. energy: -1.958 local terms energy: -609.105080 where: bonds (distance) C4'-P energy: -95.277 bonds (distance) P-C4' energy: -139.075 flat angles C4'-P-C4' energy: -135.968 flat angles P-C4'-P energy: -75.573 tors. eta vs tors. theta energy: -163.212 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: 10 ===================================== Write number: 466 Temperature: 1.150000 Total energy: -1620.003749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1620.003749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1620.003749 (E_RNA) where: Base-Base interactions energy: -1052.140 where: short stacking energy: -473.735 Base-Backbone interact. energy: -1.278 local terms energy: -566.585478 where: bonds (distance) C4'-P energy: -97.266 bonds (distance) P-C4' energy: -133.263 flat angles C4'-P-C4' energy: -125.199 flat angles P-C4'-P energy: -77.044 tors. eta vs tors. theta energy: -133.813 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 466 Temperature: 1.200000 Total energy: -1318.235875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1318.235875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1318.235875 (E_RNA) where: Base-Base interactions energy: -835.443 where: short stacking energy: -372.093 Base-Backbone interact. energy: -3.032 local terms energy: -479.761803 where: bonds (distance) C4'-P energy: -94.249 bonds (distance) P-C4' energy: -115.418 flat angles C4'-P-C4' energy: -122.688 flat angles P-C4'-P energy: -64.233 tors. eta vs tors. theta energy: -83.175 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 466 Temperature: 1.250000 Total energy: -924.530619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -924.530619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -924.530619 (E_RNA) where: Base-Base interactions energy: -510.894 where: short stacking energy: -215.939 Base-Backbone interact. energy: 2.662 local terms energy: -416.298505 where: bonds (distance) C4'-P energy: -113.837 bonds (distance) P-C4' energy: -113.231 flat angles C4'-P-C4' energy: -110.985 flat angles P-C4'-P energy: -70.191 tors. eta vs tors. theta energy: -8.055 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 466 Temperature: 1.300000 Total energy: -651.177326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -651.177326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -651.177326 (E_RNA) where: Base-Base interactions energy: -299.601 where: short stacking energy: -168.898 Base-Backbone interact. energy: -3.172 local terms energy: -348.404713 where: bonds (distance) C4'-P energy: -97.016 bonds (distance) P-C4' energy: -97.743 flat angles C4'-P-C4' energy: -108.882 flat angles P-C4'-P energy: -51.948 tors. eta vs tors. theta energy: 7.184 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: 466 Temperature: 1.350000 Total energy: -539.816761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -539.816761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -539.816761 (E_RNA) where: Base-Base interactions energy: -210.556 where: short stacking energy: -110.902 Base-Backbone interact. energy: 2.236 local terms energy: -331.496879 where: bonds (distance) C4'-P energy: -113.754 bonds (distance) P-C4' energy: -110.532 flat angles C4'-P-C4' energy: -78.881 flat angles P-C4'-P energy: -66.324 tors. eta vs tors. theta energy: 37.993 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 467 Temperature: 0.900000 Total energy: -2307.068194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2307.068194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2307.068194 (E_RNA) where: Base-Base interactions energy: -1576.925 where: short stacking energy: -639.348 Base-Backbone interact. energy: -1.094 local terms energy: -729.049512 where: bonds (distance) C4'-P energy: -131.452 bonds (distance) P-C4' energy: -121.398 flat angles C4'-P-C4' energy: -153.505 flat angles P-C4'-P energy: -107.200 tors. eta vs tors. theta energy: -215.495 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 467 Temperature: 0.950000 Total energy: -2205.419174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2205.419174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2205.419174 (E_RNA) where: Base-Base interactions energy: -1485.623 where: short stacking energy: -648.221 Base-Backbone interact. energy: -1.296 local terms energy: -718.500026 where: bonds (distance) C4'-P energy: -124.354 bonds (distance) P-C4' energy: -131.589 flat angles C4'-P-C4' energy: -148.622 flat angles P-C4'-P energy: -112.050 tors. eta vs tors. theta energy: -201.885 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 467 Temperature: 1.000000 Total energy: -2109.074009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2109.074009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2109.074009 (E_RNA) where: Base-Base interactions energy: -1415.901 where: short stacking energy: -606.207 Base-Backbone interact. energy: 1.007 local terms energy: -694.180624 where: bonds (distance) C4'-P energy: -123.625 bonds (distance) P-C4' energy: -141.425 flat angles C4'-P-C4' energy: -153.448 flat angles P-C4'-P energy: -87.366 tors. eta vs tors. theta energy: -188.317 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: 7 ===================================== Write number: 467 Temperature: 1.050000 Total energy: -2025.711868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2025.711868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2025.711868 (E_RNA) where: Base-Base interactions energy: -1376.434 where: short stacking energy: -574.759 Base-Backbone interact. energy: -2.247 local terms energy: -647.030276 where: bonds (distance) C4'-P energy: -105.318 bonds (distance) P-C4' energy: -123.615 flat angles C4'-P-C4' energy: -138.739 flat angles P-C4'-P energy: -99.910 tors. eta vs tors. theta energy: -179.449 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 467 Temperature: 1.100000 Total energy: -1779.260040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1779.260040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1779.260040 (E_RNA) where: Base-Base interactions energy: -1178.264 where: short stacking energy: -506.785 Base-Backbone interact. energy: -1.685 local terms energy: -599.310960 where: bonds (distance) C4'-P energy: -114.073 bonds (distance) P-C4' energy: -127.673 flat angles C4'-P-C4' energy: -126.328 flat angles P-C4'-P energy: -83.656 tors. eta vs tors. theta energy: -147.581 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 467 Temperature: 1.150000 Total energy: -1595.274655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1595.274655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1595.274655 (E_RNA) where: Base-Base interactions energy: -1050.249 where: short stacking energy: -448.932 Base-Backbone interact. energy: 2.024 local terms energy: -547.049373 where: bonds (distance) C4'-P energy: -117.009 bonds (distance) P-C4' energy: -111.841 flat angles C4'-P-C4' energy: -105.930 flat angles P-C4'-P energy: -94.194 tors. eta vs tors. theta energy: -118.075 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 467 Temperature: 1.200000 Total energy: -1335.626463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1335.626463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1335.626463 (E_RNA) where: Base-Base interactions energy: -801.070 where: short stacking energy: -362.097 Base-Backbone interact. energy: -2.619 local terms energy: -531.937543 where: bonds (distance) C4'-P energy: -128.465 bonds (distance) P-C4' energy: -119.911 flat angles C4'-P-C4' energy: -113.904 flat angles P-C4'-P energy: -86.305 tors. eta vs tors. theta energy: -83.353 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 467 Temperature: 1.250000 Total energy: -926.823049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -926.823049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -926.823049 (E_RNA) where: Base-Base interactions energy: -505.276 where: short stacking energy: -247.808 Base-Backbone interact. energy: -0.790 local terms energy: -420.757521 where: bonds (distance) C4'-P energy: -110.991 bonds (distance) P-C4' energy: -127.602 flat angles C4'-P-C4' energy: -103.374 flat angles P-C4'-P energy: -45.983 tors. eta vs tors. theta energy: -32.807 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 467 Temperature: 1.300000 Total energy: -613.870106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -613.870106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -613.870106 (E_RNA) where: Base-Base interactions energy: -286.761 where: short stacking energy: -182.619 Base-Backbone interact. energy: -2.015 local terms energy: -325.094640 where: bonds (distance) C4'-P energy: -116.303 bonds (distance) P-C4' energy: -97.553 flat angles C4'-P-C4' energy: -83.297 flat angles P-C4'-P energy: -47.649 tors. eta vs tors. theta energy: 19.707 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 467 Temperature: 1.350000 Total energy: -540.856859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -540.856859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -540.856859 (E_RNA) where: Base-Base interactions energy: -211.370 where: short stacking energy: -118.538 Base-Backbone interact. energy: -0.031 local terms energy: -329.456277 where: bonds (distance) C4'-P energy: -104.252 bonds (distance) P-C4' energy: -106.683 flat angles C4'-P-C4' energy: -97.701 flat angles P-C4'-P energy: -60.534 tors. eta vs tors. theta energy: 39.715 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 468 Temperature: 0.900000 Total energy: -2331.190354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2331.190354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2331.190354 (E_RNA) where: Base-Base interactions energy: -1593.811 where: short stacking energy: -665.206 Base-Backbone interact. energy: -2.537 local terms energy: -734.842235 where: bonds (distance) C4'-P energy: -129.779 bonds (distance) P-C4' energy: -142.356 flat angles C4'-P-C4' energy: -153.680 flat angles P-C4'-P energy: -106.965 tors. eta vs tors. theta energy: -202.062 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 468 Temperature: 0.950000 Total energy: -2232.186975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2232.186975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2232.186975 (E_RNA) where: Base-Base interactions energy: -1507.627 where: short stacking energy: -619.221 Base-Backbone interact. energy: -2.068 local terms energy: -722.492559 where: bonds (distance) C4'-P energy: -119.789 bonds (distance) P-C4' energy: -142.564 flat angles C4'-P-C4' energy: -153.684 flat angles P-C4'-P energy: -104.967 tors. eta vs tors. theta energy: -201.489 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 468 Temperature: 1.000000 Total energy: -2091.456547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2091.456547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2091.456547 (E_RNA) where: Base-Base interactions energy: -1430.687 where: short stacking energy: -580.053 Base-Backbone interact. energy: -0.682 local terms energy: -660.087351 where: bonds (distance) C4'-P energy: -134.222 bonds (distance) P-C4' energy: -121.492 flat angles C4'-P-C4' energy: -128.955 flat angles P-C4'-P energy: -98.981 tors. eta vs tors. theta energy: -176.437 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 468 Temperature: 1.050000 Total energy: -2041.869091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2041.869091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2041.869091 (E_RNA) where: Base-Base interactions energy: -1382.993 where: short stacking energy: -590.351 Base-Backbone interact. energy: -3.101 local terms energy: -655.775522 where: bonds (distance) C4'-P energy: -108.935 bonds (distance) P-C4' energy: -132.687 flat angles C4'-P-C4' energy: -147.902 flat angles P-C4'-P energy: -76.721 tors. eta vs tors. theta energy: -189.530 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: 5, replica: 5 ===================================== Write number: 468 Temperature: 1.100000 Total energy: -1801.451554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1801.451554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1801.451554 (E_RNA) where: Base-Base interactions energy: -1202.046 where: short stacking energy: -511.106 Base-Backbone interact. energy: -1.329 local terms energy: -598.076686 where: bonds (distance) C4'-P energy: -119.315 bonds (distance) P-C4' energy: -105.169 flat angles C4'-P-C4' energy: -138.072 flat angles P-C4'-P energy: -86.578 tors. eta vs tors. theta energy: -148.942 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: 6, replica: 10 ===================================== Write number: 468 Temperature: 1.150000 Total energy: -1570.074838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1570.074838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1570.074838 (E_RNA) where: Base-Base interactions energy: -1025.129 where: short stacking energy: -446.254 Base-Backbone interact. energy: -1.581 local terms energy: -543.364542 where: bonds (distance) C4'-P energy: -103.031 bonds (distance) P-C4' energy: -106.115 flat angles C4'-P-C4' energy: -128.385 flat angles P-C4'-P energy: -87.986 tors. eta vs tors. theta energy: -117.847 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 468 Temperature: 1.200000 Total energy: -1257.532376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1257.532376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1257.532376 (E_RNA) where: Base-Base interactions energy: -770.625 where: short stacking energy: -340.421 Base-Backbone interact. energy: 0.783 local terms energy: -487.690152 where: bonds (distance) C4'-P energy: -107.457 bonds (distance) P-C4' energy: -112.638 flat angles C4'-P-C4' energy: -123.464 flat angles P-C4'-P energy: -83.401 tors. eta vs tors. theta energy: -60.731 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: 9 ===================================== Write number: 468 Temperature: 1.250000 Total energy: -862.429961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -862.429961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -862.429961 (E_RNA) where: Base-Base interactions energy: -434.484 where: short stacking energy: -206.567 Base-Backbone interact. energy: -1.094 local terms energy: -426.851755 where: bonds (distance) C4'-P energy: -112.187 bonds (distance) P-C4' energy: -131.183 flat angles C4'-P-C4' energy: -100.889 flat angles P-C4'-P energy: -70.928 tors. eta vs tors. theta energy: -11.665 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 468 Temperature: 1.300000 Total energy: -625.520575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -625.520575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -625.520575 (E_RNA) where: Base-Base interactions energy: -286.685 where: short stacking energy: -163.154 Base-Backbone interact. energy: 0.343 local terms energy: -339.178495 where: bonds (distance) C4'-P energy: -90.867 bonds (distance) P-C4' energy: -122.408 flat angles C4'-P-C4' energy: -104.512 flat angles P-C4'-P energy: -40.734 tors. eta vs tors. theta energy: 19.341 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: 4 ===================================== Write number: 468 Temperature: 1.350000 Total energy: -527.059773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -527.059773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -527.059773 (E_RNA) where: Base-Base interactions energy: -206.973 where: short stacking energy: -136.794 Base-Backbone interact. energy: -0.989 local terms energy: -319.097337 where: bonds (distance) C4'-P energy: -94.861 bonds (distance) P-C4' energy: -107.908 flat angles C4'-P-C4' energy: -97.278 flat angles P-C4'-P energy: -37.001 tors. eta vs tors. theta energy: 17.951 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 469 Temperature: 0.900000 Total energy: -2316.264697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2316.264697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2316.264697 (E_RNA) where: Base-Base interactions energy: -1570.814 where: short stacking energy: -638.499 Base-Backbone interact. energy: 0.190 local terms energy: -745.640004 where: bonds (distance) C4'-P energy: -133.831 bonds (distance) P-C4' energy: -151.672 flat angles C4'-P-C4' energy: -143.100 flat angles P-C4'-P energy: -106.455 tors. eta vs tors. theta energy: -210.584 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: 6 ===================================== Write number: 469 Temperature: 0.950000 Total energy: -2196.953310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2196.953310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2196.953310 (E_RNA) where: Base-Base interactions energy: -1495.316 where: short stacking energy: -638.744 Base-Backbone interact. energy: -0.898 local terms energy: -700.739302 where: bonds (distance) C4'-P energy: -131.551 bonds (distance) P-C4' energy: -133.034 flat angles C4'-P-C4' energy: -137.992 flat angles P-C4'-P energy: -96.973 tors. eta vs tors. theta energy: -201.190 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 469 Temperature: 1.000000 Total energy: -2114.373337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2114.373337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2114.373337 (E_RNA) where: Base-Base interactions energy: -1435.981 where: short stacking energy: -596.175 Base-Backbone interact. energy: -0.705 local terms energy: -677.686637 where: bonds (distance) C4'-P energy: -134.875 bonds (distance) P-C4' energy: -120.855 flat angles C4'-P-C4' energy: -138.837 flat angles P-C4'-P energy: -94.323 tors. eta vs tors. theta energy: -188.797 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 469 Temperature: 1.050000 Total energy: -2035.496497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2035.496497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2035.496497 (E_RNA) where: Base-Base interactions energy: -1369.958 where: short stacking energy: -597.299 Base-Backbone interact. energy: -3.590 local terms energy: -661.949097 where: bonds (distance) C4'-P energy: -102.922 bonds (distance) P-C4' energy: -118.182 flat angles C4'-P-C4' energy: -136.147 flat angles P-C4'-P energy: -105.813 tors. eta vs tors. theta energy: -198.885 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 469 Temperature: 1.100000 Total energy: -1783.273055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1783.273055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1783.273055 (E_RNA) where: Base-Base interactions energy: -1192.872 where: short stacking energy: -514.818 Base-Backbone interact. energy: -2.169 local terms energy: -588.232454 where: bonds (distance) C4'-P energy: -116.732 bonds (distance) P-C4' energy: -116.358 flat angles C4'-P-C4' energy: -122.414 flat angles P-C4'-P energy: -93.494 tors. eta vs tors. theta energy: -139.235 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 469 Temperature: 1.150000 Total energy: -1543.636578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1543.636578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1543.636578 (E_RNA) where: Base-Base interactions energy: -1020.388 where: short stacking energy: -441.002 Base-Backbone interact. energy: 2.808 local terms energy: -526.056404 where: bonds (distance) C4'-P energy: -111.755 bonds (distance) P-C4' energy: -105.304 flat angles C4'-P-C4' energy: -128.859 flat angles P-C4'-P energy: -64.685 tors. eta vs tors. theta energy: -115.454 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 469 Temperature: 1.200000 Total energy: -1289.170543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1289.170543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1289.170543 (E_RNA) where: Base-Base interactions energy: -781.660 where: short stacking energy: -320.934 Base-Backbone interact. energy: 1.528 local terms energy: -509.039220 where: bonds (distance) C4'-P energy: -122.024 bonds (distance) P-C4' energy: -126.816 flat angles C4'-P-C4' energy: -122.079 flat angles P-C4'-P energy: -72.643 tors. eta vs tors. theta energy: -65.477 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: 8, replica: 9 ===================================== Write number: 469 Temperature: 1.250000 Total energy: -958.421994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -958.421994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -958.421994 (E_RNA) where: Base-Base interactions energy: -536.605 where: short stacking energy: -265.380 Base-Backbone interact. energy: 0.252 local terms energy: -422.069718 where: bonds (distance) C4'-P energy: -119.435 bonds (distance) P-C4' energy: -104.721 flat angles C4'-P-C4' energy: -104.490 flat angles P-C4'-P energy: -55.576 tors. eta vs tors. theta energy: -37.848 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 469 Temperature: 1.300000 Total energy: -625.792626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -625.792626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -625.792626 (E_RNA) where: Base-Base interactions energy: -256.525 where: short stacking energy: -190.666 Base-Backbone interact. energy: 0.405 local terms energy: -369.672521 where: bonds (distance) C4'-P energy: -99.550 bonds (distance) P-C4' energy: -120.010 flat angles C4'-P-C4' energy: -90.228 flat angles P-C4'-P energy: -56.894 tors. eta vs tors. theta energy: -2.990 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 469 Temperature: 1.350000 Total energy: -528.254753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -528.254753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -528.254753 (E_RNA) where: Base-Base interactions energy: -185.079 where: short stacking energy: -134.682 Base-Backbone interact. energy: 3.377 local terms energy: -346.553065 where: bonds (distance) C4'-P energy: -94.602 bonds (distance) P-C4' energy: -110.224 flat angles C4'-P-C4' energy: -102.449 flat angles P-C4'-P energy: -58.669 tors. eta vs tors. theta energy: 19.392 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: 1, replica: 8 ===================================== Write number: 470 Temperature: 0.900000 Total energy: -2329.435433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2329.435433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2329.435433 (E_RNA) where: Base-Base interactions energy: -1603.682 where: short stacking energy: -645.712 Base-Backbone interact. energy: -5.257 local terms energy: -720.496931 where: bonds (distance) C4'-P energy: -128.751 bonds (distance) P-C4' energy: -136.324 flat angles C4'-P-C4' energy: -145.910 flat angles P-C4'-P energy: -102.873 tors. eta vs tors. theta energy: -206.639 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: 6 ===================================== Write number: 470 Temperature: 0.950000 Total energy: -2240.656172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2240.656172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2240.656172 (E_RNA) where: Base-Base interactions energy: -1510.648 where: short stacking energy: -661.658 Base-Backbone interact. energy: -0.108 local terms energy: -729.900595 where: bonds (distance) C4'-P energy: -130.936 bonds (distance) P-C4' energy: -145.665 flat angles C4'-P-C4' energy: -149.790 flat angles P-C4'-P energy: -96.738 tors. eta vs tors. theta energy: -206.772 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: 2 ===================================== Write number: 470 Temperature: 1.000000 Total energy: -2117.108658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2117.108658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2117.108658 (E_RNA) where: Base-Base interactions energy: -1452.324 where: short stacking energy: -605.047 Base-Backbone interact. energy: 0.231 local terms energy: -665.016047 where: bonds (distance) C4'-P energy: -133.332 bonds (distance) P-C4' energy: -114.101 flat angles C4'-P-C4' energy: -133.212 flat angles P-C4'-P energy: -87.208 tors. eta vs tors. theta energy: -197.163 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 470 Temperature: 1.050000 Total energy: -2014.957987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2014.957987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2014.957987 (E_RNA) where: Base-Base interactions energy: -1355.891 where: short stacking energy: -568.418 Base-Backbone interact. energy: -3.480 local terms energy: -655.587653 where: bonds (distance) C4'-P energy: -117.217 bonds (distance) P-C4' energy: -116.484 flat angles C4'-P-C4' energy: -134.812 flat angles P-C4'-P energy: -98.023 tors. eta vs tors. theta energy: -189.051 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 470 Temperature: 1.100000 Total energy: -1813.528932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1813.528932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1813.528932 (E_RNA) where: Base-Base interactions energy: -1222.241 where: short stacking energy: -535.944 Base-Backbone interact. energy: 1.675 local terms energy: -592.963158 where: bonds (distance) C4'-P energy: -103.073 bonds (distance) P-C4' energy: -133.771 flat angles C4'-P-C4' energy: -125.924 flat angles P-C4'-P energy: -75.026 tors. eta vs tors. theta energy: -155.170 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 470 Temperature: 1.150000 Total energy: -1564.869634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1564.869634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1564.869634 (E_RNA) where: Base-Base interactions energy: -1012.273 where: short stacking energy: -432.742 Base-Backbone interact. energy: -2.773 local terms energy: -549.823412 where: bonds (distance) C4'-P energy: -101.860 bonds (distance) P-C4' energy: -120.168 flat angles C4'-P-C4' energy: -124.097 flat angles P-C4'-P energy: -83.570 tors. eta vs tors. theta energy: -120.128 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 470 Temperature: 1.200000 Total energy: -1246.694507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1246.694507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1246.694507 (E_RNA) where: Base-Base interactions energy: -762.422 where: short stacking energy: -336.823 Base-Backbone interact. energy: -1.340 local terms energy: -482.931730 where: bonds (distance) C4'-P energy: -116.613 bonds (distance) P-C4' energy: -120.433 flat angles C4'-P-C4' energy: -112.160 flat angles P-C4'-P energy: -77.905 tors. eta vs tors. theta energy: -55.820 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 470 Temperature: 1.250000 Total energy: -906.576473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -906.576473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -906.576473 (E_RNA) where: Base-Base interactions energy: -456.674 where: short stacking energy: -253.463 Base-Backbone interact. energy: 4.859 local terms energy: -454.761743 where: bonds (distance) C4'-P energy: -118.229 bonds (distance) P-C4' energy: -118.599 flat angles C4'-P-C4' energy: -117.904 flat angles P-C4'-P energy: -51.248 tors. eta vs tors. theta energy: -48.782 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: 3 ===================================== Write number: 470 Temperature: 1.300000 Total energy: -661.601404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -661.601404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -661.601404 (E_RNA) where: Base-Base interactions energy: -291.479 where: short stacking energy: -134.915 Base-Backbone interact. energy: -2.452 local terms energy: -367.669980 where: bonds (distance) C4'-P energy: -119.817 bonds (distance) P-C4' energy: -111.539 flat angles C4'-P-C4' energy: -100.879 flat angles P-C4'-P energy: -46.511 tors. eta vs tors. theta energy: 11.076 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 470 Temperature: 1.350000 Total energy: -529.889750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -529.889750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -529.889750 (E_RNA) where: Base-Base interactions energy: -197.556 where: short stacking energy: -138.885 Base-Backbone interact. energy: 3.084 local terms energy: -335.418496 where: bonds (distance) C4'-P energy: -95.684 bonds (distance) P-C4' energy: -123.692 flat angles C4'-P-C4' energy: -91.367 flat angles P-C4'-P energy: -57.290 tors. eta vs tors. theta energy: 32.615 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: 1, replica: 8 ===================================== Write number: 471 Temperature: 0.900000 Total energy: -2305.912277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2305.912277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2305.912277 (E_RNA) where: Base-Base interactions energy: -1583.212 where: short stacking energy: -630.205 Base-Backbone interact. energy: -1.538 local terms energy: -721.162604 where: bonds (distance) C4'-P energy: -133.452 bonds (distance) P-C4' energy: -123.585 flat angles C4'-P-C4' energy: -152.893 flat angles P-C4'-P energy: -96.130 tors. eta vs tors. theta energy: -215.103 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 471 Temperature: 0.950000 Total energy: -2221.987477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2221.987477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2221.987477 (E_RNA) where: Base-Base interactions energy: -1526.821 where: short stacking energy: -657.922 Base-Backbone interact. energy: -1.501 local terms energy: -693.665346 where: bonds (distance) C4'-P energy: -116.644 bonds (distance) P-C4' energy: -124.075 flat angles C4'-P-C4' energy: -155.398 flat angles P-C4'-P energy: -92.232 tors. eta vs tors. theta energy: -205.317 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: 2 ===================================== Write number: 471 Temperature: 1.000000 Total energy: -2133.568241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2133.568241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2133.568241 (E_RNA) where: Base-Base interactions energy: -1465.447 where: short stacking energy: -599.182 Base-Backbone interact. energy: -1.896 local terms energy: -666.225479 where: bonds (distance) C4'-P energy: -123.677 bonds (distance) P-C4' energy: -114.856 flat angles C4'-P-C4' energy: -145.760 flat angles P-C4'-P energy: -85.267 tors. eta vs tors. theta energy: -196.665 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 471 Temperature: 1.050000 Total energy: -2026.245855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2026.245855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2026.245855 (E_RNA) where: Base-Base interactions energy: -1384.214 where: short stacking energy: -596.957 Base-Backbone interact. energy: -1.748 local terms energy: -640.284141 where: bonds (distance) C4'-P energy: -110.335 bonds (distance) P-C4' energy: -113.986 flat angles C4'-P-C4' energy: -150.480 flat angles P-C4'-P energy: -80.266 tors. eta vs tors. theta energy: -185.218 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 471 Temperature: 1.100000 Total energy: -1795.641375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1795.641375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1795.641375 (E_RNA) where: Base-Base interactions energy: -1201.333 where: short stacking energy: -513.920 Base-Backbone interact. energy: -1.636 local terms energy: -592.672367 where: bonds (distance) C4'-P energy: -124.107 bonds (distance) P-C4' energy: -109.620 flat angles C4'-P-C4' energy: -123.065 flat angles P-C4'-P energy: -87.254 tors. eta vs tors. theta energy: -148.627 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: 10 ===================================== Write number: 471 Temperature: 1.150000 Total energy: -1513.583279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1513.583279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1513.583279 (E_RNA) where: Base-Base interactions energy: -965.579 where: short stacking energy: -403.084 Base-Backbone interact. energy: -2.722 local terms energy: -545.282534 where: bonds (distance) C4'-P energy: -117.500 bonds (distance) P-C4' energy: -118.992 flat angles C4'-P-C4' energy: -130.552 flat angles P-C4'-P energy: -77.816 tors. eta vs tors. theta energy: -100.422 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 471 Temperature: 1.200000 Total energy: -1320.139122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1320.139122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1320.139122 (E_RNA) where: Base-Base interactions energy: -849.979 where: short stacking energy: -356.276 Base-Backbone interact. energy: -2.859 local terms energy: -467.301470 where: bonds (distance) C4'-P energy: -125.927 bonds (distance) P-C4' energy: -90.598 flat angles C4'-P-C4' energy: -108.030 flat angles P-C4'-P energy: -75.009 tors. eta vs tors. theta energy: -67.737 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 471 Temperature: 1.250000 Total energy: -882.536780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -882.536780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -882.536780 (E_RNA) where: Base-Base interactions energy: -474.645 where: short stacking energy: -243.903 Base-Backbone interact. energy: 1.046 local terms energy: -408.937520 where: bonds (distance) C4'-P energy: -107.473 bonds (distance) P-C4' energy: -121.188 flat angles C4'-P-C4' energy: -88.364 flat angles P-C4'-P energy: -63.465 tors. eta vs tors. theta energy: -28.448 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: 3 ===================================== Write number: 471 Temperature: 1.300000 Total energy: -673.504402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -673.504402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -673.504402 (E_RNA) where: Base-Base interactions energy: -312.118 where: short stacking energy: -160.763 Base-Backbone interact. energy: 2.491 local terms energy: -363.877174 where: bonds (distance) C4'-P energy: -106.562 bonds (distance) P-C4' energy: -123.807 flat angles C4'-P-C4' energy: -97.883 flat angles P-C4'-P energy: -46.291 tors. eta vs tors. theta energy: 10.665 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 471 Temperature: 1.350000 Total energy: -569.732789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -569.732789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -569.732789 (E_RNA) where: Base-Base interactions energy: -229.337 where: short stacking energy: -151.287 Base-Backbone interact. energy: -0.295 local terms energy: -340.100594 where: bonds (distance) C4'-P energy: -113.416 bonds (distance) P-C4' energy: -123.293 flat angles C4'-P-C4' energy: -89.865 flat angles P-C4'-P energy: -46.406 tors. eta vs tors. theta energy: 32.880 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 472 Temperature: 0.900000 Total energy: -2301.295355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2301.295355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2301.295355 (E_RNA) where: Base-Base interactions energy: -1566.595 where: short stacking energy: -638.799 Base-Backbone interact. energy: -2.540 local terms energy: -732.160508 where: bonds (distance) C4'-P energy: -140.018 bonds (distance) P-C4' energy: -132.629 flat angles C4'-P-C4' energy: -153.506 flat angles P-C4'-P energy: -103.100 tors. eta vs tors. theta energy: -202.907 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 472 Temperature: 0.950000 Total energy: -2230.868436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2230.868436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2230.868436 (E_RNA) where: Base-Base interactions energy: -1513.476 where: short stacking energy: -643.528 Base-Backbone interact. energy: -1.775 local terms energy: -715.617263 where: bonds (distance) C4'-P energy: -128.961 bonds (distance) P-C4' energy: -137.599 flat angles C4'-P-C4' energy: -151.591 flat angles P-C4'-P energy: -96.299 tors. eta vs tors. theta energy: -201.167 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 472 Temperature: 1.000000 Total energy: -2093.639572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2093.639572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2093.639572 (E_RNA) where: Base-Base interactions energy: -1414.130 where: short stacking energy: -581.911 Base-Backbone interact. energy: -2.719 local terms energy: -676.791030 where: bonds (distance) C4'-P energy: -124.469 bonds (distance) P-C4' energy: -113.118 flat angles C4'-P-C4' energy: -147.576 flat angles P-C4'-P energy: -95.196 tors. eta vs tors. theta energy: -196.433 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: 4, replica: 7 ===================================== Write number: 472 Temperature: 1.050000 Total energy: -2023.959875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2023.959875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2023.959875 (E_RNA) where: Base-Base interactions energy: -1366.138 where: short stacking energy: -591.660 Base-Backbone interact. energy: -3.032 local terms energy: -654.789806 where: bonds (distance) C4'-P energy: -135.235 bonds (distance) P-C4' energy: -112.713 flat angles C4'-P-C4' energy: -139.470 flat angles P-C4'-P energy: -85.386 tors. eta vs tors. theta energy: -181.985 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 472 Temperature: 1.100000 Total energy: -1786.876745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1786.876745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1786.876745 (E_RNA) where: Base-Base interactions energy: -1202.825 where: short stacking energy: -511.805 Base-Backbone interact. energy: -0.287 local terms energy: -583.765077 where: bonds (distance) C4'-P energy: -101.408 bonds (distance) P-C4' energy: -121.871 flat angles C4'-P-C4' energy: -126.819 flat angles P-C4'-P energy: -82.183 tors. eta vs tors. theta energy: -151.484 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 472 Temperature: 1.150000 Total energy: -1499.326585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1499.326585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1499.326585 (E_RNA) where: Base-Base interactions energy: -979.040 where: short stacking energy: -421.572 Base-Backbone interact. energy: -4.717 local terms energy: -515.569655 where: bonds (distance) C4'-P energy: -97.313 bonds (distance) P-C4' energy: -112.318 flat angles C4'-P-C4' energy: -128.542 flat angles P-C4'-P energy: -69.766 tors. eta vs tors. theta energy: -107.631 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 472 Temperature: 1.200000 Total energy: -1367.949715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1367.949715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1367.949715 (E_RNA) where: Base-Base interactions energy: -872.907 where: short stacking energy: -386.144 Base-Backbone interact. energy: 0.788 local terms energy: -495.829935 where: bonds (distance) C4'-P energy: -122.107 bonds (distance) P-C4' energy: -98.512 flat angles C4'-P-C4' energy: -126.477 flat angles P-C4'-P energy: -58.315 tors. eta vs tors. theta energy: -90.418 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 472 Temperature: 1.250000 Total energy: -861.383000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -861.383000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -861.383000 (E_RNA) where: Base-Base interactions energy: -466.794 where: short stacking energy: -251.534 Base-Backbone interact. energy: -2.769 local terms energy: -391.820157 where: bonds (distance) C4'-P energy: -119.063 bonds (distance) P-C4' energy: -100.903 flat angles C4'-P-C4' energy: -102.353 flat angles P-C4'-P energy: -55.559 tors. eta vs tors. theta energy: -13.942 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 472 Temperature: 1.300000 Total energy: -637.455110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -637.455110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -637.455110 (E_RNA) where: Base-Base interactions energy: -262.632 where: short stacking energy: -164.443 Base-Backbone interact. energy: -1.550 local terms energy: -373.273289 where: bonds (distance) C4'-P energy: -101.242 bonds (distance) P-C4' energy: -127.991 flat angles C4'-P-C4' energy: -101.748 flat angles P-C4'-P energy: -55.060 tors. eta vs tors. theta energy: 12.767 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: 4 ===================================== Write number: 472 Temperature: 1.350000 Total energy: -547.431821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -547.431821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -547.431821 (E_RNA) where: Base-Base interactions energy: -219.882 where: short stacking energy: -141.243 Base-Backbone interact. energy: -1.828 local terms energy: -325.721679 where: bonds (distance) C4'-P energy: -98.932 bonds (distance) P-C4' energy: -118.939 flat angles C4'-P-C4' energy: -72.862 flat angles P-C4'-P energy: -53.310 tors. eta vs tors. theta energy: 18.321 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: 8 ===================================== Write number: 473 Temperature: 0.900000 Total energy: -2291.906571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2291.906571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2291.906571 (E_RNA) where: Base-Base interactions energy: -1592.724 where: short stacking energy: -636.435 Base-Backbone interact. energy: -2.824 local terms energy: -696.359396 where: bonds (distance) C4'-P energy: -118.443 bonds (distance) P-C4' energy: -127.785 flat angles C4'-P-C4' energy: -145.478 flat angles P-C4'-P energy: -94.820 tors. eta vs tors. theta energy: -209.835 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 473 Temperature: 0.950000 Total energy: -2228.475062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2228.475062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2228.475062 (E_RNA) where: Base-Base interactions energy: -1529.558 where: short stacking energy: -663.637 Base-Backbone interact. energy: -1.482 local terms energy: -697.434811 where: bonds (distance) C4'-P energy: -121.282 bonds (distance) P-C4' energy: -136.334 flat angles C4'-P-C4' energy: -147.566 flat angles P-C4'-P energy: -86.245 tors. eta vs tors. theta energy: -206.008 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 473 Temperature: 1.000000 Total energy: -2093.445300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2093.445300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2093.445300 (E_RNA) where: Base-Base interactions energy: -1417.867 where: short stacking energy: -582.146 Base-Backbone interact. energy: -3.911 local terms energy: -671.667013 where: bonds (distance) C4'-P energy: -125.354 bonds (distance) P-C4' energy: -137.494 flat angles C4'-P-C4' energy: -146.982 flat angles P-C4'-P energy: -79.173 tors. eta vs tors. theta energy: -182.664 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 473 Temperature: 1.050000 Total energy: -2010.497571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2010.497571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2010.497571 (E_RNA) where: Base-Base interactions energy: -1369.805 where: short stacking energy: -578.243 Base-Backbone interact. energy: -2.473 local terms energy: -638.220087 where: bonds (distance) C4'-P energy: -102.698 bonds (distance) P-C4' energy: -127.012 flat angles C4'-P-C4' energy: -139.891 flat angles P-C4'-P energy: -80.328 tors. eta vs tors. theta energy: -188.291 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: 5 ===================================== Write number: 473 Temperature: 1.100000 Total energy: -1819.201280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1819.201280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1819.201280 (E_RNA) where: Base-Base interactions energy: -1224.826 where: short stacking energy: -496.133 Base-Backbone interact. energy: -1.134 local terms energy: -593.241427 where: bonds (distance) C4'-P energy: -110.963 bonds (distance) P-C4' energy: -117.309 flat angles C4'-P-C4' energy: -119.745 flat angles P-C4'-P energy: -79.416 tors. eta vs tors. theta energy: -165.808 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 473 Temperature: 1.150000 Total energy: -1449.561827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1449.561827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1449.561827 (E_RNA) where: Base-Base interactions energy: -945.288 where: short stacking energy: -386.494 Base-Backbone interact. energy: -2.589 local terms energy: -501.684539 where: bonds (distance) C4'-P energy: -109.412 bonds (distance) P-C4' energy: -113.170 flat angles C4'-P-C4' energy: -115.639 flat angles P-C4'-P energy: -77.887 tors. eta vs tors. theta energy: -85.577 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: 1 ===================================== Write number: 473 Temperature: 1.200000 Total energy: -1431.874089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1431.874089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1431.874089 (E_RNA) where: Base-Base interactions energy: -923.725 where: short stacking energy: -395.203 Base-Backbone interact. energy: 1.953 local terms energy: -512.311511 where: bonds (distance) C4'-P energy: -109.208 bonds (distance) P-C4' energy: -131.242 flat angles C4'-P-C4' energy: -106.358 flat angles P-C4'-P energy: -76.129 tors. eta vs tors. theta energy: -89.375 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 2.210 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 473 Temperature: 1.250000 Total energy: -880.052466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -880.052466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -880.052466 (E_RNA) where: Base-Base interactions energy: -461.122 where: short stacking energy: -237.736 Base-Backbone interact. energy: -2.383 local terms energy: -416.547434 where: bonds (distance) C4'-P energy: -111.038 bonds (distance) P-C4' energy: -108.174 flat angles C4'-P-C4' energy: -117.556 flat angles P-C4'-P energy: -60.011 tors. eta vs tors. theta energy: -19.769 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: 3 ===================================== Write number: 473 Temperature: 1.300000 Total energy: -668.318126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -668.318126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -668.318126 (E_RNA) where: Base-Base interactions energy: -291.596 where: short stacking energy: -166.714 Base-Backbone interact. energy: -1.327 local terms energy: -375.395086 where: bonds (distance) C4'-P energy: -111.896 bonds (distance) P-C4' energy: -109.051 flat angles C4'-P-C4' energy: -106.367 flat angles P-C4'-P energy: -57.772 tors. eta vs tors. theta energy: 9.690 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: 4 ===================================== Write number: 473 Temperature: 1.350000 Total energy: -544.652800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -544.652800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -544.652800 (E_RNA) where: Base-Base interactions energy: -198.130 where: short stacking energy: -161.049 Base-Backbone interact. energy: 2.335 local terms energy: -348.858208 where: bonds (distance) C4'-P energy: -111.382 bonds (distance) P-C4' energy: -113.302 flat angles C4'-P-C4' energy: -93.084 flat angles P-C4'-P energy: -52.004 tors. eta vs tors. theta energy: 20.913 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 474 Temperature: 0.900000 Total energy: -2295.301932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2295.301932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2295.301932 (E_RNA) where: Base-Base interactions energy: -1585.785 where: short stacking energy: -634.337 Base-Backbone interact. energy: -2.658 local terms energy: -706.858108 where: bonds (distance) C4'-P energy: -125.342 bonds (distance) P-C4' energy: -143.255 flat angles C4'-P-C4' energy: -143.540 flat angles P-C4'-P energy: -97.427 tors. eta vs tors. theta energy: -197.296 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: 6 ===================================== Write number: 474 Temperature: 0.950000 Total energy: -2245.353207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2245.353207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2245.353207 (E_RNA) where: Base-Base interactions energy: -1524.603 where: short stacking energy: -640.953 Base-Backbone interact. energy: -0.147 local terms energy: -720.603561 where: bonds (distance) C4'-P energy: -143.347 bonds (distance) P-C4' energy: -138.630 flat angles C4'-P-C4' energy: -144.403 flat angles P-C4'-P energy: -88.958 tors. eta vs tors. theta energy: -205.265 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: 2 ===================================== Write number: 474 Temperature: 1.000000 Total energy: -2086.628075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2086.628075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2086.628075 (E_RNA) where: Base-Base interactions energy: -1415.238 where: short stacking energy: -608.660 Base-Backbone interact. energy: -2.853 local terms energy: -668.537483 where: bonds (distance) C4'-P energy: -114.951 bonds (distance) P-C4' energy: -123.912 flat angles C4'-P-C4' energy: -144.573 flat angles P-C4'-P energy: -98.448 tors. eta vs tors. theta energy: -186.654 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 474 Temperature: 1.050000 Total energy: -2016.116334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2016.116334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2016.116334 (E_RNA) where: Base-Base interactions energy: -1366.124 where: short stacking energy: -601.723 Base-Backbone interact. energy: 1.883 local terms energy: -651.875498 where: bonds (distance) C4'-P energy: -115.295 bonds (distance) P-C4' energy: -121.507 flat angles C4'-P-C4' energy: -140.163 flat angles P-C4'-P energy: -90.044 tors. eta vs tors. theta energy: -184.866 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 474 Temperature: 1.100000 Total energy: -1801.643356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1801.643356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1801.643356 (E_RNA) where: Base-Base interactions energy: -1197.326 where: short stacking energy: -511.907 Base-Backbone interact. energy: -6.345 local terms energy: -597.972814 where: bonds (distance) C4'-P energy: -103.242 bonds (distance) P-C4' energy: -118.626 flat angles C4'-P-C4' energy: -135.549 flat angles P-C4'-P energy: -91.450 tors. eta vs tors. theta energy: -149.106 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 474 Temperature: 1.150000 Total energy: -1475.616191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1475.616191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1475.616191 (E_RNA) where: Base-Base interactions energy: -949.610 where: short stacking energy: -412.793 Base-Backbone interact. energy: -4.411 local terms energy: -521.595291 where: bonds (distance) C4'-P energy: -108.138 bonds (distance) P-C4' energy: -106.711 flat angles C4'-P-C4' energy: -129.581 flat angles P-C4'-P energy: -61.287 tors. eta vs tors. theta energy: -115.878 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: 1 ===================================== Write number: 474 Temperature: 1.200000 Total energy: -1375.036086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1375.036086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1375.036086 (E_RNA) where: Base-Base interactions energy: -860.017 where: short stacking energy: -385.448 Base-Backbone interact. energy: -0.961 local terms energy: -514.058499 where: bonds (distance) C4'-P energy: -118.505 bonds (distance) P-C4' energy: -119.082 flat angles C4'-P-C4' energy: -114.217 flat angles P-C4'-P energy: -72.325 tors. eta vs tors. theta energy: -89.929 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: 9 ===================================== Write number: 474 Temperature: 1.250000 Total energy: -867.252155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -867.252155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -867.252155 (E_RNA) where: Base-Base interactions energy: -435.608 where: short stacking energy: -234.425 Base-Backbone interact. energy: -2.164 local terms energy: -429.479734 where: bonds (distance) C4'-P energy: -102.174 bonds (distance) P-C4' energy: -116.221 flat angles C4'-P-C4' energy: -113.937 flat angles P-C4'-P energy: -61.979 tors. eta vs tors. theta energy: -35.169 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: 3 ===================================== Write number: 474 Temperature: 1.300000 Total energy: -617.874693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -617.874693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -617.874693 (E_RNA) where: Base-Base interactions energy: -286.046 where: short stacking energy: -181.184 Base-Backbone interact. energy: 4.171 local terms energy: -335.999890 where: bonds (distance) C4'-P energy: -111.363 bonds (distance) P-C4' energy: -96.424 flat angles C4'-P-C4' energy: -97.904 flat angles P-C4'-P energy: -53.247 tors. eta vs tors. theta energy: 22.939 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 474 Temperature: 1.350000 Total energy: -508.804469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -508.804469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -508.804469 (E_RNA) where: Base-Base interactions energy: -178.806 where: short stacking energy: -153.156 Base-Backbone interact. energy: 10.659 local terms energy: -340.657581 where: bonds (distance) C4'-P energy: -108.268 bonds (distance) P-C4' energy: -114.737 flat angles C4'-P-C4' energy: -104.855 flat angles P-C4'-P energy: -43.438 tors. eta vs tors. theta energy: 30.639 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 475 Temperature: 0.900000 Total energy: -2315.664826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2315.664826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2315.664826 (E_RNA) where: Base-Base interactions energy: -1606.705 where: short stacking energy: -656.806 Base-Backbone interact. energy: -2.531 local terms energy: -706.428727 where: bonds (distance) C4'-P energy: -126.290 bonds (distance) P-C4' energy: -127.618 flat angles C4'-P-C4' energy: -153.762 flat angles P-C4'-P energy: -90.770 tors. eta vs tors. theta energy: -207.988 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 475 Temperature: 0.950000 Total energy: -2212.547642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2212.547642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2212.547642 (E_RNA) where: Base-Base interactions energy: -1498.676 where: short stacking energy: -653.166 Base-Backbone interact. energy: -1.783 local terms energy: -712.088823 where: bonds (distance) C4'-P energy: -120.931 bonds (distance) P-C4' energy: -141.797 flat angles C4'-P-C4' energy: -152.855 flat angles P-C4'-P energy: -93.439 tors. eta vs tors. theta energy: -203.067 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 475 Temperature: 1.000000 Total energy: -2119.144260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2119.144260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2119.144260 (E_RNA) where: Base-Base interactions energy: -1422.082 where: short stacking energy: -596.122 Base-Backbone interact. energy: -3.009 local terms energy: -694.053448 where: bonds (distance) C4'-P energy: -130.855 bonds (distance) P-C4' energy: -132.790 flat angles C4'-P-C4' energy: -147.995 flat angles P-C4'-P energy: -93.768 tors. eta vs tors. theta energy: -188.645 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 475 Temperature: 1.050000 Total energy: -2011.626626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2011.626626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2011.626626 (E_RNA) where: Base-Base interactions energy: -1333.451 where: short stacking energy: -576.021 Base-Backbone interact. energy: -1.333 local terms energy: -676.842681 where: bonds (distance) C4'-P energy: -128.118 bonds (distance) P-C4' energy: -140.161 flat angles C4'-P-C4' energy: -137.815 flat angles P-C4'-P energy: -85.629 tors. eta vs tors. theta energy: -185.119 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: 475 Temperature: 1.100000 Total energy: -1822.912236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1822.912236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1822.912236 (E_RNA) where: Base-Base interactions energy: -1190.915 where: short stacking energy: -515.121 Base-Backbone interact. energy: -3.100 local terms energy: -628.897451 where: bonds (distance) C4'-P energy: -127.501 bonds (distance) P-C4' energy: -128.238 flat angles C4'-P-C4' energy: -135.056 flat angles P-C4'-P energy: -82.590 tors. eta vs tors. theta energy: -155.512 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 475 Temperature: 1.150000 Total energy: -1457.077408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1457.077408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1457.077408 (E_RNA) where: Base-Base interactions energy: -919.796 where: short stacking energy: -401.610 Base-Backbone interact. energy: -4.021 local terms energy: -533.261230 where: bonds (distance) C4'-P energy: -122.791 bonds (distance) P-C4' energy: -119.572 flat angles C4'-P-C4' energy: -118.657 flat angles P-C4'-P energy: -72.782 tors. eta vs tors. theta energy: -99.459 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: 7, replica: 1 ===================================== Write number: 475 Temperature: 1.200000 Total energy: -1371.915584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1371.915584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1371.915584 (E_RNA) where: Base-Base interactions energy: -910.491 where: short stacking energy: -383.503 Base-Backbone interact. energy: 1.624 local terms energy: -464.885168 where: bonds (distance) C4'-P energy: -84.922 bonds (distance) P-C4' energy: -88.091 flat angles C4'-P-C4' energy: -118.601 flat angles P-C4'-P energy: -72.416 tors. eta vs tors. theta energy: -100.855 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 1.837 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 475 Temperature: 1.250000 Total energy: -880.293567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -880.293567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -880.293567 (E_RNA) where: Base-Base interactions energy: -463.925 where: short stacking energy: -243.819 Base-Backbone interact. energy: -1.070 local terms energy: -415.299311 where: bonds (distance) C4'-P energy: -97.986 bonds (distance) P-C4' energy: -107.738 flat angles C4'-P-C4' energy: -101.870 flat angles P-C4'-P energy: -50.472 tors. eta vs tors. theta energy: -57.233 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 475 Temperature: 1.300000 Total energy: -662.865132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -662.865132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -662.865132 (E_RNA) where: Base-Base interactions energy: -293.679 where: short stacking energy: -201.822 Base-Backbone interact. energy: -1.236 local terms energy: -367.951048 where: bonds (distance) C4'-P energy: -88.213 bonds (distance) P-C4' energy: -109.321 flat angles C4'-P-C4' energy: -105.011 flat angles P-C4'-P energy: -52.791 tors. eta vs tors. theta energy: -12.614 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: 4 ===================================== Write number: 475 Temperature: 1.350000 Total energy: -502.460854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -502.460854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -502.460854 (E_RNA) where: Base-Base interactions energy: -184.116 where: short stacking energy: -145.572 Base-Backbone interact. energy: 2.768 local terms energy: -321.113025 where: bonds (distance) C4'-P energy: -93.749 bonds (distance) P-C4' energy: -104.745 flat angles C4'-P-C4' energy: -113.621 flat angles P-C4'-P energy: -49.409 tors. eta vs tors. theta energy: 40.411 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: 8 ===================================== Write number: 476 Temperature: 0.900000 Total energy: -2305.191010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2305.191010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2305.191010 (E_RNA) where: Base-Base interactions energy: -1590.877 where: short stacking energy: -628.049 Base-Backbone interact. energy: -3.231 local terms energy: -711.082966 where: bonds (distance) C4'-P energy: -138.210 bonds (distance) P-C4' energy: -118.942 flat angles C4'-P-C4' energy: -152.186 flat angles P-C4'-P energy: -110.853 tors. eta vs tors. theta energy: -190.892 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: 6 ===================================== Write number: 476 Temperature: 0.950000 Total energy: -2226.532568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2226.532568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2226.532568 (E_RNA) where: Base-Base interactions energy: -1522.217 where: short stacking energy: -631.738 Base-Backbone interact. energy: -3.474 local terms energy: -700.841295 where: bonds (distance) C4'-P energy: -127.092 bonds (distance) P-C4' energy: -128.884 flat angles C4'-P-C4' energy: -141.746 flat angles P-C4'-P energy: -94.534 tors. eta vs tors. theta energy: -208.585 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: 2 ===================================== Write number: 476 Temperature: 1.000000 Total energy: -2120.904370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2120.904370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2120.904370 (E_RNA) where: Base-Base interactions energy: -1423.851 where: short stacking energy: -606.051 Base-Backbone interact. energy: -1.290 local terms energy: -695.763840 where: bonds (distance) C4'-P energy: -113.683 bonds (distance) P-C4' energy: -128.887 flat angles C4'-P-C4' energy: -156.957 flat angles P-C4'-P energy: -106.040 tors. eta vs tors. theta energy: -190.197 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: 7 ===================================== Write number: 476 Temperature: 1.050000 Total energy: -2028.829440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2028.829440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2028.829440 (E_RNA) where: Base-Base interactions energy: -1391.921 where: short stacking energy: -559.679 Base-Backbone interact. energy: -1.848 local terms energy: -635.060342 where: bonds (distance) C4'-P energy: -110.214 bonds (distance) P-C4' energy: -104.077 flat angles C4'-P-C4' energy: -141.311 flat angles P-C4'-P energy: -89.808 tors. eta vs tors. theta energy: -189.650 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: 5 ===================================== Write number: 476 Temperature: 1.100000 Total energy: -1799.816972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1799.816972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1799.816972 (E_RNA) where: Base-Base interactions energy: -1205.123 where: short stacking energy: -526.183 Base-Backbone interact. energy: -4.718 local terms energy: -589.976304 where: bonds (distance) C4'-P energy: -112.875 bonds (distance) P-C4' energy: -120.318 flat angles C4'-P-C4' energy: -118.752 flat angles P-C4'-P energy: -90.622 tors. eta vs tors. theta energy: -147.409 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 476 Temperature: 1.150000 Total energy: -1441.149066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1441.149066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1441.149066 (E_RNA) where: Base-Base interactions energy: -894.763 where: short stacking energy: -419.518 Base-Backbone interact. energy: -0.457 local terms energy: -545.928841 where: bonds (distance) C4'-P energy: -117.774 bonds (distance) P-C4' energy: -120.485 flat angles C4'-P-C4' energy: -111.525 flat angles P-C4'-P energy: -87.935 tors. eta vs tors. theta energy: -108.210 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 476 Temperature: 1.200000 Total energy: -1367.264264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1367.264264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1367.264264 (E_RNA) where: Base-Base interactions energy: -870.874 where: short stacking energy: -371.804 Base-Backbone interact. energy: -1.133 local terms energy: -495.257716 where: bonds (distance) C4'-P energy: -122.801 bonds (distance) P-C4' energy: -114.165 flat angles C4'-P-C4' energy: -107.080 flat angles P-C4'-P energy: -77.783 tors. eta vs tors. theta energy: -73.429 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: 9 ===================================== Write number: 476 Temperature: 1.250000 Total energy: -856.532432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -856.532432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -856.532432 (E_RNA) where: Base-Base interactions energy: -454.054 where: short stacking energy: -218.643 Base-Backbone interact. energy: -2.754 local terms energy: -399.724904 where: bonds (distance) C4'-P energy: -115.803 bonds (distance) P-C4' energy: -107.499 flat angles C4'-P-C4' energy: -106.518 flat angles P-C4'-P energy: -54.253 tors. eta vs tors. theta energy: -15.652 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: 3 ===================================== Write number: 476 Temperature: 1.300000 Total energy: -638.661952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -638.661952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -638.661952 (E_RNA) where: Base-Base interactions energy: -277.654 where: short stacking energy: -189.450 Base-Backbone interact. energy: 2.237 local terms energy: -363.245725 where: bonds (distance) C4'-P energy: -96.583 bonds (distance) P-C4' energy: -120.342 flat angles C4'-P-C4' energy: -92.203 flat angles P-C4'-P energy: -51.960 tors. eta vs tors. theta energy: -2.157 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 476 Temperature: 1.350000 Total energy: -471.713118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -471.713118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -471.713118 (E_RNA) where: Base-Base interactions energy: -145.476 where: short stacking energy: -94.619 Base-Backbone interact. energy: 1.885 local terms energy: -328.122315 where: bonds (distance) C4'-P energy: -111.183 bonds (distance) P-C4' energy: -124.612 flat angles C4'-P-C4' energy: -84.972 flat angles P-C4'-P energy: -53.885 tors. eta vs tors. theta energy: 46.529 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 477 Temperature: 0.900000 Total energy: -2291.752225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2291.752225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2291.752225 (E_RNA) where: Base-Base interactions energy: -1575.646 where: short stacking energy: -651.699 Base-Backbone interact. energy: -0.745 local terms energy: -715.360996 where: bonds (distance) C4'-P energy: -137.641 bonds (distance) P-C4' energy: -132.585 flat angles C4'-P-C4' energy: -151.218 flat angles P-C4'-P energy: -94.058 tors. eta vs tors. theta energy: -199.859 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 477 Temperature: 0.950000 Total energy: -2211.303696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2211.303696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2211.303696 (E_RNA) where: Base-Base interactions energy: -1491.420 where: short stacking energy: -647.433 Base-Backbone interact. energy: -2.637 local terms energy: -717.247156 where: bonds (distance) C4'-P energy: -122.982 bonds (distance) P-C4' energy: -148.877 flat angles C4'-P-C4' energy: -142.040 flat angles P-C4'-P energy: -98.516 tors. eta vs tors. theta energy: -204.831 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 477 Temperature: 1.000000 Total energy: -2106.216859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2106.216859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2106.216859 (E_RNA) where: Base-Base interactions energy: -1433.756 where: short stacking energy: -594.048 Base-Backbone interact. energy: 0.618 local terms energy: -673.078128 where: bonds (distance) C4'-P energy: -123.706 bonds (distance) P-C4' energy: -132.725 flat angles C4'-P-C4' energy: -142.746 flat angles P-C4'-P energy: -93.003 tors. eta vs tors. theta energy: -180.897 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 477 Temperature: 1.050000 Total energy: -2036.954087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2036.954087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2036.954087 (E_RNA) where: Base-Base interactions energy: -1385.468 where: short stacking energy: -617.496 Base-Backbone interact. energy: -2.098 local terms energy: -649.388540 where: bonds (distance) C4'-P energy: -103.069 bonds (distance) P-C4' energy: -112.564 flat angles C4'-P-C4' energy: -161.811 flat angles P-C4'-P energy: -74.951 tors. eta vs tors. theta energy: -196.993 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 477 Temperature: 1.100000 Total energy: -1789.608052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1789.608052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1789.608052 (E_RNA) where: Base-Base interactions energy: -1216.005 where: short stacking energy: -504.772 Base-Backbone interact. energy: 2.771 local terms energy: -576.374000 where: bonds (distance) C4'-P energy: -105.088 bonds (distance) P-C4' energy: -115.981 flat angles C4'-P-C4' energy: -119.547 flat angles P-C4'-P energy: -91.398 tors. eta vs tors. theta energy: -144.360 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: 10 ===================================== Write number: 477 Temperature: 1.150000 Total energy: -1500.785883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1500.785883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1500.785883 (E_RNA) where: Base-Base interactions energy: -953.826 where: short stacking energy: -405.506 Base-Backbone interact. energy: -0.134 local terms energy: -546.825463 where: bonds (distance) C4'-P energy: -95.944 bonds (distance) P-C4' energy: -140.642 flat angles C4'-P-C4' energy: -129.850 flat angles P-C4'-P energy: -86.704 tors. eta vs tors. theta energy: -93.684 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 477 Temperature: 1.200000 Total energy: -1387.881019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1387.881019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1387.881019 (E_RNA) where: Base-Base interactions energy: -869.808 where: short stacking energy: -367.521 Base-Backbone interact. energy: -2.570 local terms energy: -515.503926 where: bonds (distance) C4'-P energy: -123.780 bonds (distance) P-C4' energy: -114.133 flat angles C4'-P-C4' energy: -122.520 flat angles P-C4'-P energy: -69.613 tors. eta vs tors. theta energy: -85.458 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 477 Temperature: 1.250000 Total energy: -802.953087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -802.953087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -802.953087 (E_RNA) where: Base-Base interactions energy: -405.799 where: short stacking energy: -240.299 Base-Backbone interact. energy: 0.709 local terms energy: -397.863180 where: bonds (distance) C4'-P energy: -104.963 bonds (distance) P-C4' energy: -110.078 flat angles C4'-P-C4' energy: -108.861 flat angles P-C4'-P energy: -54.960 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: 9, replica: 3 ===================================== Write number: 477 Temperature: 1.300000 Total energy: -605.616338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -605.616338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -605.616338 (E_RNA) where: Base-Base interactions energy: -259.484 where: short stacking energy: -151.941 Base-Backbone interact. energy: -0.242 local terms energy: -345.890310 where: bonds (distance) C4'-P energy: -105.164 bonds (distance) P-C4' energy: -104.830 flat angles C4'-P-C4' energy: -96.246 flat angles P-C4'-P energy: -61.621 tors. eta vs tors. theta energy: 21.970 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 477 Temperature: 1.350000 Total energy: -522.562743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -522.562743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -522.562743 (E_RNA) where: Base-Base interactions energy: -186.943 where: short stacking energy: -119.745 Base-Backbone interact. energy: -1.879 local terms energy: -333.741308 where: bonds (distance) C4'-P energy: -102.837 bonds (distance) P-C4' energy: -110.387 flat angles C4'-P-C4' energy: -91.984 flat angles P-C4'-P energy: -66.091 tors. eta vs tors. theta energy: 37.558 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 478 Temperature: 0.900000 Total energy: -2286.710006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2286.710006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2286.710006 (E_RNA) where: Base-Base interactions energy: -1573.083 where: short stacking energy: -640.732 Base-Backbone interact. energy: -4.239 local terms energy: -709.388345 where: bonds (distance) C4'-P energy: -118.573 bonds (distance) P-C4' energy: -142.772 flat angles C4'-P-C4' energy: -155.143 flat angles P-C4'-P energy: -95.710 tors. eta vs tors. theta energy: -197.191 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 478 Temperature: 0.950000 Total energy: -2220.288068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2220.288068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2220.288068 (E_RNA) where: Base-Base interactions energy: -1515.081 where: short stacking energy: -648.165 Base-Backbone interact. energy: -0.684 local terms energy: -704.522252 where: bonds (distance) C4'-P energy: -123.931 bonds (distance) P-C4' energy: -125.474 flat angles C4'-P-C4' energy: -150.264 flat angles P-C4'-P energy: -95.385 tors. eta vs tors. theta energy: -209.468 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 478 Temperature: 1.000000 Total energy: -2114.498800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2114.498800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2114.498800 (E_RNA) where: Base-Base interactions energy: -1444.022 where: short stacking energy: -613.012 Base-Backbone interact. energy: -0.003 local terms energy: -670.473410 where: bonds (distance) C4'-P energy: -121.803 bonds (distance) P-C4' energy: -131.611 flat angles C4'-P-C4' energy: -137.268 flat angles P-C4'-P energy: -78.359 tors. eta vs tors. theta energy: -201.432 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: 7 ===================================== Write number: 478 Temperature: 1.050000 Total energy: -2006.417607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2006.417607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2006.417607 (E_RNA) where: Base-Base interactions energy: -1338.645 where: short stacking energy: -558.255 Base-Backbone interact. energy: 0.552 local terms energy: -668.324388 where: bonds (distance) C4'-P energy: -128.671 bonds (distance) P-C4' energy: -125.647 flat angles C4'-P-C4' energy: -139.581 flat angles P-C4'-P energy: -96.442 tors. eta vs tors. theta energy: -177.982 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 478 Temperature: 1.100000 Total energy: -1794.304168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1794.304168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1794.304168 (E_RNA) where: Base-Base interactions energy: -1188.555 where: short stacking energy: -491.614 Base-Backbone interact. energy: 7.807 local terms energy: -613.556325 where: bonds (distance) C4'-P energy: -125.728 bonds (distance) P-C4' energy: -123.281 flat angles C4'-P-C4' energy: -137.045 flat angles P-C4'-P energy: -83.931 tors. eta vs tors. theta energy: -143.572 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 478 Temperature: 1.150000 Total energy: -1528.283236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1528.283236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1528.283236 (E_RNA) where: Base-Base interactions energy: -956.724 where: short stacking energy: -404.446 Base-Backbone interact. energy: -2.468 local terms energy: -569.091960 where: bonds (distance) C4'-P energy: -125.385 bonds (distance) P-C4' energy: -124.382 flat angles C4'-P-C4' energy: -113.594 flat angles P-C4'-P energy: -74.787 tors. eta vs tors. theta energy: -130.944 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 478 Temperature: 1.200000 Total energy: -1416.458951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1416.458951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1416.458951 (E_RNA) where: Base-Base interactions energy: -903.170 where: short stacking energy: -402.336 Base-Backbone interact. energy: -1.148 local terms energy: -512.140959 where: bonds (distance) C4'-P energy: -104.880 bonds (distance) P-C4' energy: -119.737 flat angles C4'-P-C4' energy: -108.631 flat angles P-C4'-P energy: -80.266 tors. eta vs tors. theta energy: -98.628 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: 9 ===================================== Write number: 478 Temperature: 1.250000 Total energy: -804.273380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -804.273380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -804.273380 (E_RNA) where: Base-Base interactions energy: -395.946 where: short stacking energy: -227.970 Base-Backbone interact. energy: -2.523 local terms energy: -405.804848 where: bonds (distance) C4'-P energy: -114.505 bonds (distance) P-C4' energy: -110.265 flat angles C4'-P-C4' energy: -117.101 flat angles P-C4'-P energy: -44.213 tors. eta vs tors. theta energy: -19.721 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 478 Temperature: 1.300000 Total energy: -638.322278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -638.322278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -638.322278 (E_RNA) where: Base-Base interactions energy: -276.229 where: short stacking energy: -170.316 Base-Backbone interact. energy: -3.024 local terms energy: -359.069453 where: bonds (distance) C4'-P energy: -105.334 bonds (distance) P-C4' energy: -108.391 flat angles C4'-P-C4' energy: -81.767 flat angles P-C4'-P energy: -72.031 tors. eta vs tors. theta energy: 8.453 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 478 Temperature: 1.350000 Total energy: -502.718341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -502.718341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -502.718341 (E_RNA) where: Base-Base interactions energy: -147.462 where: short stacking energy: -110.950 Base-Backbone interact. energy: 0.200 local terms energy: -355.456446 where: bonds (distance) C4'-P energy: -100.000 bonds (distance) P-C4' energy: -121.645 flat angles C4'-P-C4' energy: -86.846 flat angles P-C4'-P energy: -76.107 tors. eta vs tors. theta energy: 29.141 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 479 Temperature: 0.900000 Total energy: -2297.943015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2297.943015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2297.943015 (E_RNA) where: Base-Base interactions energy: -1583.355 where: short stacking energy: -645.970 Base-Backbone interact. energy: 0.015 local terms energy: -714.603059 where: bonds (distance) C4'-P energy: -132.076 bonds (distance) P-C4' energy: -122.618 flat angles C4'-P-C4' energy: -158.532 flat angles P-C4'-P energy: -98.451 tors. eta vs tors. theta energy: -202.925 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: 6 ===================================== Write number: 479 Temperature: 0.950000 Total energy: -2211.486157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2211.486157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2211.486157 (E_RNA) where: Base-Base interactions energy: -1502.419 where: short stacking energy: -662.904 Base-Backbone interact. energy: -1.467 local terms energy: -707.600176 where: bonds (distance) C4'-P energy: -121.989 bonds (distance) P-C4' energy: -137.388 flat angles C4'-P-C4' energy: -151.093 flat angles P-C4'-P energy: -91.500 tors. eta vs tors. theta energy: -205.631 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: 2 ===================================== Write number: 479 Temperature: 1.000000 Total energy: -2183.883159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2183.883159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2183.883159 (E_RNA) where: Base-Base interactions energy: -1517.672 where: short stacking energy: -641.426 Base-Backbone interact. energy: -4.618 local terms energy: -661.592627 where: bonds (distance) C4'-P energy: -123.324 bonds (distance) P-C4' energy: -122.163 flat angles C4'-P-C4' energy: -142.435 flat angles P-C4'-P energy: -71.954 tors. eta vs tors. theta energy: -201.717 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 479 Temperature: 1.050000 Total energy: -1990.527782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1990.527782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1990.527782 (E_RNA) where: Base-Base interactions energy: -1351.836 where: short stacking energy: -564.578 Base-Backbone interact. energy: -1.816 local terms energy: -636.875960 where: bonds (distance) C4'-P energy: -116.462 bonds (distance) P-C4' energy: -111.726 flat angles C4'-P-C4' energy: -143.418 flat angles P-C4'-P energy: -80.165 tors. eta vs tors. theta energy: -185.105 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: 479 Temperature: 1.100000 Total energy: -1762.177466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1762.177466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1762.177466 (E_RNA) where: Base-Base interactions energy: -1150.379 where: short stacking energy: -498.936 Base-Backbone interact. energy: -2.021 local terms energy: -609.777113 where: bonds (distance) C4'-P energy: -118.256 bonds (distance) P-C4' energy: -133.445 flat angles C4'-P-C4' energy: -128.587 flat angles P-C4'-P energy: -84.596 tors. eta vs tors. theta energy: -144.893 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: 10 ===================================== Write number: 479 Temperature: 1.150000 Total energy: -1571.226070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1571.226070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1571.226070 (E_RNA) where: Base-Base interactions energy: -1009.048 where: short stacking energy: -456.477 Base-Backbone interact. energy: 4.689 local terms energy: -566.867229 where: bonds (distance) C4'-P energy: -112.572 bonds (distance) P-C4' energy: -118.242 flat angles C4'-P-C4' energy: -119.960 flat angles P-C4'-P energy: -80.592 tors. eta vs tors. theta energy: -135.502 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: 7, replica: 1 ===================================== Write number: 479 Temperature: 1.200000 Total energy: -1448.429995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1448.429995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1448.429995 (E_RNA) where: Base-Base interactions energy: -928.294 where: short stacking energy: -398.944 Base-Backbone interact. energy: -1.136 local terms energy: -519.000031 where: bonds (distance) C4'-P energy: -109.053 bonds (distance) P-C4' energy: -108.248 flat angles C4'-P-C4' energy: -113.014 flat angles P-C4'-P energy: -93.194 tors. eta vs tors. theta energy: -95.491 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 479 Temperature: 1.250000 Total energy: -798.973066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -798.973066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -798.973066 (E_RNA) where: Base-Base interactions energy: -427.870 where: short stacking energy: -239.828 Base-Backbone interact. energy: -2.042 local terms energy: -369.061072 where: bonds (distance) C4'-P energy: -85.763 bonds (distance) P-C4' energy: -111.392 flat angles C4'-P-C4' energy: -90.352 flat angles P-C4'-P energy: -61.160 tors. eta vs tors. theta energy: -20.394 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 479 Temperature: 1.300000 Total energy: -631.443135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -631.443135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -631.443135 (E_RNA) where: Base-Base interactions energy: -265.618 where: short stacking energy: -178.292 Base-Backbone interact. energy: 3.270 local terms energy: -369.096028 where: bonds (distance) C4'-P energy: -101.433 bonds (distance) P-C4' energy: -117.771 flat angles C4'-P-C4' energy: -114.232 flat angles P-C4'-P energy: -50.916 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: 479 Temperature: 1.350000 Total energy: -499.603001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -499.603001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -499.603001 (E_RNA) where: Base-Base interactions energy: -169.823 where: short stacking energy: -115.031 Base-Backbone interact. energy: -3.879 local terms energy: -325.901395 where: bonds (distance) C4'-P energy: -110.904 bonds (distance) P-C4' energy: -100.449 flat angles C4'-P-C4' energy: -78.583 flat angles P-C4'-P energy: -52.226 tors. eta vs tors. theta energy: 16.261 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: 8 ===================================== Write number: 480 Temperature: 0.900000 Total energy: -2313.995878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2313.995878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2313.995878 (E_RNA) where: Base-Base interactions energy: -1594.803 where: short stacking energy: -641.856 Base-Backbone interact. energy: -2.130 local terms energy: -717.063006 where: bonds (distance) C4'-P energy: -130.121 bonds (distance) P-C4' energy: -131.296 flat angles C4'-P-C4' energy: -155.919 flat angles P-C4'-P energy: -97.067 tors. eta vs tors. theta energy: -202.660 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: 6 ===================================== Write number: 480 Temperature: 0.950000 Total energy: -2229.408172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2229.408172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2229.408172 (E_RNA) where: Base-Base interactions energy: -1517.381 where: short stacking energy: -642.915 Base-Backbone interact. energy: -1.419 local terms energy: -710.608426 where: bonds (distance) C4'-P energy: -128.268 bonds (distance) P-C4' energy: -122.060 flat angles C4'-P-C4' energy: -148.647 flat angles P-C4'-P energy: -103.563 tors. eta vs tors. theta energy: -208.071 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 480 Temperature: 1.000000 Total energy: -2114.789314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2114.789314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2114.789314 (E_RNA) where: Base-Base interactions energy: -1458.178 where: short stacking energy: -609.477 Base-Backbone interact. energy: -1.060 local terms energy: -655.550927 where: bonds (distance) C4'-P energy: -112.701 bonds (distance) P-C4' energy: -113.343 flat angles C4'-P-C4' energy: -140.627 flat angles P-C4'-P energy: -101.557 tors. eta vs tors. theta energy: -187.322 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 480 Temperature: 1.050000 Total energy: -2056.946482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2056.946482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2056.946482 (E_RNA) where: Base-Base interactions energy: -1401.728 where: short stacking energy: -587.237 Base-Backbone interact. energy: 0.104 local terms energy: -655.322289 where: bonds (distance) C4'-P energy: -118.813 bonds (distance) P-C4' energy: -126.319 flat angles C4'-P-C4' energy: -135.332 flat angles P-C4'-P energy: -94.526 tors. eta vs tors. theta energy: -180.334 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 480 Temperature: 1.100000 Total energy: -1786.763925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1786.763925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1786.763925 (E_RNA) where: Base-Base interactions energy: -1186.620 where: short stacking energy: -502.996 Base-Backbone interact. energy: -1.205 local terms energy: -598.938372 where: bonds (distance) C4'-P energy: -108.144 bonds (distance) P-C4' energy: -132.991 flat angles C4'-P-C4' energy: -129.640 flat angles P-C4'-P energy: -86.084 tors. eta vs tors. theta energy: -142.079 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: 10 ===================================== Write number: 480 Temperature: 1.150000 Total energy: -1528.124760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1528.124760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1528.124760 (E_RNA) where: Base-Base interactions energy: -974.596 where: short stacking energy: -450.492 Base-Backbone interact. energy: -0.893 local terms energy: -552.635185 where: bonds (distance) C4'-P energy: -114.443 bonds (distance) P-C4' energy: -122.367 flat angles C4'-P-C4' energy: -121.811 flat angles P-C4'-P energy: -83.867 tors. eta vs tors. theta energy: -110.147 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 480 Temperature: 1.200000 Total energy: -1381.889608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1381.889608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1381.889608 (E_RNA) where: Base-Base interactions energy: -880.781 where: short stacking energy: -389.103 Base-Backbone interact. energy: -0.895 local terms energy: -500.213906 where: bonds (distance) C4'-P energy: -102.622 bonds (distance) P-C4' energy: -116.785 flat angles C4'-P-C4' energy: -116.513 flat angles P-C4'-P energy: -75.997 tors. eta vs tors. theta energy: -88.297 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 480 Temperature: 1.250000 Total energy: -811.635748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -811.635748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -811.635748 (E_RNA) where: Base-Base interactions energy: -385.998 where: short stacking energy: -224.074 Base-Backbone interact. energy: 0.353 local terms energy: -425.990972 where: bonds (distance) C4'-P energy: -118.784 bonds (distance) P-C4' energy: -111.862 flat angles C4'-P-C4' energy: -103.537 flat angles P-C4'-P energy: -76.632 tors. eta vs tors. theta energy: -15.177 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 480 Temperature: 1.300000 Total energy: -642.554647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -642.554647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -642.554647 (E_RNA) where: Base-Base interactions energy: -283.852 where: short stacking energy: -159.421 Base-Backbone interact. energy: 6.724 local terms energy: -365.426653 where: bonds (distance) C4'-P energy: -101.513 bonds (distance) P-C4' energy: -127.223 flat angles C4'-P-C4' energy: -101.600 flat angles P-C4'-P energy: -54.347 tors. eta vs tors. theta energy: 19.258 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: 4 ===================================== Write number: 480 Temperature: 1.350000 Total energy: -514.707483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -514.707483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -514.707483 (E_RNA) where: Base-Base interactions energy: -172.482 where: short stacking energy: -121.858 Base-Backbone interact. energy: 1.016 local terms energy: -343.692224 where: bonds (distance) C4'-P energy: -107.804 bonds (distance) P-C4' energy: -122.987 flat angles C4'-P-C4' energy: -89.325 flat angles P-C4'-P energy: -64.975 tors. eta vs tors. theta energy: 41.399 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.451 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 481 Temperature: 0.900000 Total energy: -2300.590623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2300.590623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2300.590623 (E_RNA) where: Base-Base interactions energy: -1561.210 where: short stacking energy: -644.415 Base-Backbone interact. energy: -3.492 local terms energy: -735.889018 where: bonds (distance) C4'-P energy: -131.220 bonds (distance) P-C4' energy: -137.174 flat angles C4'-P-C4' energy: -154.023 flat angles P-C4'-P energy: -100.959 tors. eta vs tors. theta energy: -212.514 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: 6 ===================================== Write number: 481 Temperature: 0.950000 Total energy: -2247.885804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2247.885804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2247.885804 (E_RNA) where: Base-Base interactions energy: -1539.010 where: short stacking energy: -651.972 Base-Backbone interact. energy: -2.163 local terms energy: -706.712822 where: bonds (distance) C4'-P energy: -115.035 bonds (distance) P-C4' energy: -143.221 flat angles C4'-P-C4' energy: -155.273 flat angles P-C4'-P energy: -88.625 tors. eta vs tors. theta energy: -204.559 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: 2 ===================================== Write number: 481 Temperature: 1.000000 Total energy: -2162.611439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2162.611439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2162.611439 (E_RNA) where: Base-Base interactions energy: -1440.299 where: short stacking energy: -618.420 Base-Backbone interact. energy: -1.426 local terms energy: -720.885796 where: bonds (distance) C4'-P energy: -125.837 bonds (distance) P-C4' energy: -136.451 flat angles C4'-P-C4' energy: -148.329 flat angles P-C4'-P energy: -108.874 tors. eta vs tors. theta energy: -201.394 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 481 Temperature: 1.050000 Total energy: -2047.700576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2047.700576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2047.700576 (E_RNA) where: Base-Base interactions energy: -1384.072 where: short stacking energy: -580.887 Base-Backbone interact. energy: -3.142 local terms energy: -660.486435 where: bonds (distance) C4'-P energy: -120.363 bonds (distance) P-C4' energy: -126.369 flat angles C4'-P-C4' energy: -142.528 flat angles P-C4'-P energy: -90.448 tors. eta vs tors. theta energy: -180.778 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 481 Temperature: 1.100000 Total energy: -1695.764269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1695.764269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1695.764269 (E_RNA) where: Base-Base interactions energy: -1119.071 where: short stacking energy: -480.546 Base-Backbone interact. energy: 1.282 local terms energy: -577.975184 where: bonds (distance) C4'-P energy: -117.697 bonds (distance) P-C4' energy: -116.729 flat angles C4'-P-C4' energy: -126.584 flat angles P-C4'-P energy: -85.920 tors. eta vs tors. theta energy: -131.045 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 481 Temperature: 1.150000 Total energy: -1609.038757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1609.038757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1609.038757 (E_RNA) where: Base-Base interactions energy: -1040.790 where: short stacking energy: -456.695 Base-Backbone interact. energy: -4.153 local terms energy: -564.096043 where: bonds (distance) C4'-P energy: -105.358 bonds (distance) P-C4' energy: -125.536 flat angles C4'-P-C4' energy: -129.848 flat angles P-C4'-P energy: -70.365 tors. eta vs tors. theta energy: -132.990 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: 1 ===================================== Write number: 481 Temperature: 1.200000 Total energy: -1410.625358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1410.625358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1410.625358 (E_RNA) where: Base-Base interactions energy: -880.040 where: short stacking energy: -421.826 Base-Backbone interact. energy: 3.438 local terms energy: -534.023937 where: bonds (distance) C4'-P energy: -120.637 bonds (distance) P-C4' energy: -113.728 flat angles C4'-P-C4' energy: -123.995 flat angles P-C4'-P energy: -75.397 tors. eta vs tors. theta energy: -100.267 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: 9 ===================================== Write number: 481 Temperature: 1.250000 Total energy: -926.561349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -926.561349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -926.561349 (E_RNA) where: Base-Base interactions energy: -501.337 where: short stacking energy: -268.417 Base-Backbone interact. energy: 3.357 local terms energy: -428.582027 where: bonds (distance) C4'-P energy: -91.976 bonds (distance) P-C4' energy: -114.815 flat angles C4'-P-C4' energy: -114.908 flat angles P-C4'-P energy: -75.113 tors. eta vs tors. theta energy: -31.769 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: 3 ===================================== Write number: 481 Temperature: 1.300000 Total energy: -636.215021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -636.215021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -636.215021 (E_RNA) where: Base-Base interactions energy: -281.107 where: short stacking energy: -166.198 Base-Backbone interact. energy: -4.039 local terms energy: -351.069107 where: bonds (distance) C4'-P energy: -121.311 bonds (distance) P-C4' energy: -95.754 flat angles C4'-P-C4' energy: -82.132 flat angles P-C4'-P energy: -58.902 tors. eta vs tors. theta energy: 7.030 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 481 Temperature: 1.350000 Total energy: -499.551667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -499.551667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -499.551667 (E_RNA) where: Base-Base interactions energy: -179.680 where: short stacking energy: -121.965 Base-Backbone interact. energy: 0.762 local terms energy: -320.633725 where: bonds (distance) C4'-P energy: -109.361 bonds (distance) P-C4' energy: -89.176 flat angles C4'-P-C4' energy: -90.523 flat angles P-C4'-P energy: -55.426 tors. eta vs tors. theta energy: 23.852 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 482 Temperature: 0.900000 Total energy: -2299.270562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2299.270562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2299.270562 (E_RNA) where: Base-Base interactions energy: -1580.498 where: short stacking energy: -651.604 Base-Backbone interact. energy: -1.888 local terms energy: -716.884965 where: bonds (distance) C4'-P energy: -131.574 bonds (distance) P-C4' energy: -135.576 flat angles C4'-P-C4' energy: -149.237 flat angles P-C4'-P energy: -96.164 tors. eta vs tors. theta energy: -204.334 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: 2, replica: 6 ===================================== Write number: 482 Temperature: 0.950000 Total energy: -2213.521599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2213.521599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2213.521599 (E_RNA) where: Base-Base interactions energy: -1508.600 where: short stacking energy: -648.008 Base-Backbone interact. energy: -2.351 local terms energy: -702.570207 where: bonds (distance) C4'-P energy: -131.170 bonds (distance) P-C4' energy: -128.781 flat angles C4'-P-C4' energy: -149.102 flat angles P-C4'-P energy: -100.361 tors. eta vs tors. theta energy: -193.157 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: 2 ===================================== Write number: 482 Temperature: 1.000000 Total energy: -2125.383201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2125.383201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2125.383201 (E_RNA) where: Base-Base interactions energy: -1411.646 where: short stacking energy: -588.202 Base-Backbone interact. energy: -0.752 local terms energy: -712.985103 where: bonds (distance) C4'-P energy: -142.503 bonds (distance) P-C4' energy: -131.727 flat angles C4'-P-C4' energy: -137.571 flat angles P-C4'-P energy: -108.015 tors. eta vs tors. theta energy: -193.169 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 482 Temperature: 1.050000 Total energy: -2056.950551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2056.950551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2056.950551 (E_RNA) where: Base-Base interactions energy: -1387.660 where: short stacking energy: -588.468 Base-Backbone interact. energy: -1.514 local terms energy: -667.776385 where: bonds (distance) C4'-P energy: -127.246 bonds (distance) P-C4' energy: -110.666 flat angles C4'-P-C4' energy: -148.310 flat angles P-C4'-P energy: -82.573 tors. eta vs tors. theta energy: -198.981 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 482 Temperature: 1.100000 Total energy: -1670.200508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1670.200508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1670.200508 (E_RNA) where: Base-Base interactions energy: -1075.607 where: short stacking energy: -482.463 Base-Backbone interact. energy: -0.360 local terms energy: -594.232959 where: bonds (distance) C4'-P energy: -112.067 bonds (distance) P-C4' energy: -120.993 flat angles C4'-P-C4' energy: -131.755 flat angles P-C4'-P energy: -93.438 tors. eta vs tors. theta energy: -135.980 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: 10 ===================================== Write number: 482 Temperature: 1.150000 Total energy: -1588.706431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1588.706431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1588.706431 (E_RNA) where: Base-Base interactions energy: -1021.792 where: short stacking energy: -458.252 Base-Backbone interact. energy: -1.450 local terms energy: -565.463593 where: bonds (distance) C4'-P energy: -118.161 bonds (distance) P-C4' energy: -110.265 flat angles C4'-P-C4' energy: -121.902 flat angles P-C4'-P energy: -81.602 tors. eta vs tors. theta energy: -133.534 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 482 Temperature: 1.200000 Total energy: -1386.768851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1386.768851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1386.768851 (E_RNA) where: Base-Base interactions energy: -882.314 where: short stacking energy: -383.058 Base-Backbone interact. energy: -1.499 local terms energy: -502.955588 where: bonds (distance) C4'-P energy: -109.351 bonds (distance) P-C4' energy: -112.932 flat angles C4'-P-C4' energy: -132.044 flat angles P-C4'-P energy: -63.258 tors. eta vs tors. theta energy: -85.371 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 482 Temperature: 1.250000 Total energy: -893.668114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -893.668114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -893.668114 (E_RNA) where: Base-Base interactions energy: -461.683 where: short stacking energy: -229.955 Base-Backbone interact. energy: 0.826 local terms energy: -432.811123 where: bonds (distance) C4'-P energy: -91.910 bonds (distance) P-C4' energy: -123.891 flat angles C4'-P-C4' energy: -122.446 flat angles P-C4'-P energy: -60.073 tors. eta vs tors. theta energy: -34.491 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: 3 ===================================== Write number: 482 Temperature: 1.300000 Total energy: -699.508441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -699.508441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -699.508441 (E_RNA) where: Base-Base interactions energy: -310.519 where: short stacking energy: -203.317 Base-Backbone interact. energy: -1.139 local terms energy: -387.850154 where: bonds (distance) C4'-P energy: -118.715 bonds (distance) P-C4' energy: -138.537 flat angles C4'-P-C4' energy: -84.491 flat angles P-C4'-P energy: -47.972 tors. eta vs tors. theta energy: 1.866 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 482 Temperature: 1.350000 Total energy: -461.132690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -461.132690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -461.132690 (E_RNA) where: Base-Base interactions energy: -169.356 where: short stacking energy: -152.588 Base-Backbone interact. energy: -2.743 local terms energy: -289.032774 where: bonds (distance) C4'-P energy: -95.635 bonds (distance) P-C4' energy: -98.435 flat angles C4'-P-C4' energy: -83.350 flat angles P-C4'-P energy: -44.633 tors. eta vs tors. theta energy: 33.020 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: 1, replica: 8 ===================================== Write number: 483 Temperature: 0.900000 Total energy: -2287.780676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2287.780676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2287.780676 (E_RNA) where: Base-Base interactions energy: -1562.858 where: short stacking energy: -623.512 Base-Backbone interact. energy: -2.822 local terms energy: -722.100406 where: bonds (distance) C4'-P energy: -137.745 bonds (distance) P-C4' energy: -133.628 flat angles C4'-P-C4' energy: -144.991 flat angles P-C4'-P energy: -99.131 tors. eta vs tors. theta energy: -206.605 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: 6 ===================================== Write number: 483 Temperature: 0.950000 Total energy: -2220.782546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2220.782546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2220.782546 (E_RNA) where: Base-Base interactions energy: -1518.393 where: short stacking energy: -654.228 Base-Backbone interact. energy: -2.294 local terms energy: -700.095133 where: bonds (distance) C4'-P energy: -119.845 bonds (distance) P-C4' energy: -126.948 flat angles C4'-P-C4' energy: -154.079 flat angles P-C4'-P energy: -100.385 tors. eta vs tors. theta energy: -198.837 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 483 Temperature: 1.000000 Total energy: -2135.095444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2135.095444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2135.095444 (E_RNA) where: Base-Base interactions energy: -1466.304 where: short stacking energy: -600.114 Base-Backbone interact. energy: -0.750 local terms energy: -668.041882 where: bonds (distance) C4'-P energy: -124.845 bonds (distance) P-C4' energy: -128.390 flat angles C4'-P-C4' energy: -138.197 flat angles P-C4'-P energy: -89.991 tors. eta vs tors. theta energy: -186.619 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 483 Temperature: 1.050000 Total energy: -2048.153388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2048.153388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2048.153388 (E_RNA) where: Base-Base interactions energy: -1381.759 where: short stacking energy: -587.860 Base-Backbone interact. energy: -4.819 local terms energy: -661.575258 where: bonds (distance) C4'-P energy: -115.808 bonds (distance) P-C4' energy: -124.003 flat angles C4'-P-C4' energy: -149.662 flat angles P-C4'-P energy: -88.270 tors. eta vs tors. theta energy: -183.833 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 483 Temperature: 1.100000 Total energy: -1678.439085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1678.439085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1678.439085 (E_RNA) where: Base-Base interactions energy: -1098.264 where: short stacking energy: -495.871 Base-Backbone interact. energy: -2.778 local terms energy: -577.396511 where: bonds (distance) C4'-P energy: -113.345 bonds (distance) P-C4' energy: -114.891 flat angles C4'-P-C4' energy: -131.762 flat angles P-C4'-P energy: -78.048 tors. eta vs tors. theta energy: -139.350 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 483 Temperature: 1.150000 Total energy: -1624.303975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1624.303975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1624.303975 (E_RNA) where: Base-Base interactions energy: -1031.899 where: short stacking energy: -444.230 Base-Backbone interact. energy: -2.127 local terms energy: -590.277884 where: bonds (distance) C4'-P energy: -106.852 bonds (distance) P-C4' energy: -137.333 flat angles C4'-P-C4' energy: -121.122 flat angles P-C4'-P energy: -90.442 tors. eta vs tors. theta energy: -134.529 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 483 Temperature: 1.200000 Total energy: -1408.709696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1408.709696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1408.709696 (E_RNA) where: Base-Base interactions energy: -877.257 where: short stacking energy: -366.876 Base-Backbone interact. energy: -1.417 local terms energy: -530.036176 where: bonds (distance) C4'-P energy: -113.543 bonds (distance) P-C4' energy: -112.639 flat angles C4'-P-C4' energy: -124.772 flat angles P-C4'-P energy: -89.825 tors. eta vs tors. theta energy: -89.257 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: 8, replica: 9 ===================================== Write number: 483 Temperature: 1.250000 Total energy: -916.122467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -916.122467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -916.122467 (E_RNA) where: Base-Base interactions energy: -517.932 where: short stacking energy: -257.300 Base-Backbone interact. energy: -0.430 local terms energy: -397.760576 where: bonds (distance) C4'-P energy: -99.570 bonds (distance) P-C4' energy: -119.591 flat angles C4'-P-C4' energy: -111.598 flat angles P-C4'-P energy: -40.141 tors. eta vs tors. theta energy: -26.861 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 483 Temperature: 1.300000 Total energy: -667.113250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -667.113250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -667.113250 (E_RNA) where: Base-Base interactions energy: -307.867 where: short stacking energy: -212.690 Base-Backbone interact. energy: 5.757 local terms energy: -365.002646 where: bonds (distance) C4'-P energy: -87.405 bonds (distance) P-C4' energy: -102.844 flat angles C4'-P-C4' energy: -101.478 flat angles P-C4'-P energy: -68.596 tors. eta vs tors. theta energy: -4.680 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: 10, replica: 4 ===================================== Write number: 483 Temperature: 1.350000 Total energy: -496.988729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -496.988729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -496.988729 (E_RNA) where: Base-Base interactions energy: -181.952 where: short stacking energy: -130.431 Base-Backbone interact. energy: -0.600 local terms energy: -314.436752 where: bonds (distance) C4'-P energy: -92.303 bonds (distance) P-C4' energy: -117.310 flat angles C4'-P-C4' energy: -78.627 flat angles P-C4'-P energy: -45.679 tors. eta vs tors. theta energy: 19.483 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 484 Temperature: 0.900000 Total energy: -2250.291456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2250.291456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2250.291456 (E_RNA) where: Base-Base interactions energy: -1514.978 where: short stacking energy: -643.184 Base-Backbone interact. energy: -4.554 local terms energy: -730.759880 where: bonds (distance) C4'-P energy: -128.084 bonds (distance) P-C4' energy: -137.215 flat angles C4'-P-C4' energy: -151.360 flat angles P-C4'-P energy: -106.894 tors. eta vs tors. theta energy: -207.207 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: 8 ===================================== Write number: 484 Temperature: 0.950000 Total energy: -2238.123064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2238.123064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2238.123064 (E_RNA) where: Base-Base interactions energy: -1538.263 where: short stacking energy: -602.207 Base-Backbone interact. energy: -1.618 local terms energy: -698.241840 where: bonds (distance) C4'-P energy: -128.710 bonds (distance) P-C4' energy: -139.922 flat angles C4'-P-C4' energy: -144.202 flat angles P-C4'-P energy: -89.898 tors. eta vs tors. theta energy: -195.509 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 484 Temperature: 1.000000 Total energy: -2140.885181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2140.885181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2140.885181 (E_RNA) where: Base-Base interactions energy: -1490.552 where: short stacking energy: -586.708 Base-Backbone interact. energy: -1.910 local terms energy: -648.422920 where: bonds (distance) C4'-P energy: -115.385 bonds (distance) P-C4' energy: -129.394 flat angles C4'-P-C4' energy: -129.896 flat angles P-C4'-P energy: -87.459 tors. eta vs tors. theta energy: -186.288 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 484 Temperature: 1.050000 Total energy: -2025.915744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2025.915744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2025.915744 (E_RNA) where: Base-Base interactions energy: -1384.683 where: short stacking energy: -579.087 Base-Backbone interact. energy: -2.472 local terms energy: -638.761301 where: bonds (distance) C4'-P energy: -102.900 bonds (distance) P-C4' energy: -123.195 flat angles C4'-P-C4' energy: -137.542 flat angles P-C4'-P energy: -99.176 tors. eta vs tors. theta energy: -175.948 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: 5 ===================================== Write number: 484 Temperature: 1.100000 Total energy: -1687.458159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1687.458159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1687.458159 (E_RNA) where: Base-Base interactions energy: -1110.262 where: short stacking energy: -483.221 Base-Backbone interact. energy: -0.328 local terms energy: -576.867509 where: bonds (distance) C4'-P energy: -121.247 bonds (distance) P-C4' energy: -111.736 flat angles C4'-P-C4' energy: -123.527 flat angles P-C4'-P energy: -85.250 tors. eta vs tors. theta energy: -135.107 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 484 Temperature: 1.150000 Total energy: -1459.956428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1459.956428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1459.956428 (E_RNA) where: Base-Base interactions energy: -929.548 where: short stacking energy: -428.526 Base-Backbone interact. energy: -2.522 local terms energy: -527.886437 where: bonds (distance) C4'-P energy: -105.576 bonds (distance) P-C4' energy: -109.811 flat angles C4'-P-C4' energy: -132.911 flat angles P-C4'-P energy: -86.414 tors. eta vs tors. theta energy: -93.174 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 484 Temperature: 1.200000 Total energy: -1395.590279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1395.590279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1395.590279 (E_RNA) where: Base-Base interactions energy: -891.351 where: short stacking energy: -385.967 Base-Backbone interact. energy: -1.318 local terms energy: -502.920834 where: bonds (distance) C4'-P energy: -98.846 bonds (distance) P-C4' energy: -125.651 flat angles C4'-P-C4' energy: -115.158 flat angles P-C4'-P energy: -59.240 tors. eta vs tors. theta energy: -104.026 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 484 Temperature: 1.250000 Total energy: -901.493401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -901.493401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -901.493401 (E_RNA) where: Base-Base interactions energy: -487.969 where: short stacking energy: -245.928 Base-Backbone interact. energy: -0.451 local terms energy: -413.073407 where: bonds (distance) C4'-P energy: -120.258 bonds (distance) P-C4' energy: -97.300 flat angles C4'-P-C4' energy: -109.509 flat angles P-C4'-P energy: -58.409 tors. eta vs tors. theta energy: -27.598 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 484 Temperature: 1.300000 Total energy: -637.429690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -637.429690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -637.429690 (E_RNA) where: Base-Base interactions energy: -285.489 where: short stacking energy: -186.471 Base-Backbone interact. energy: 0.381 local terms energy: -352.322182 where: bonds (distance) C4'-P energy: -110.397 bonds (distance) P-C4' energy: -92.375 flat angles C4'-P-C4' energy: -101.354 flat angles P-C4'-P energy: -57.111 tors. eta vs tors. theta energy: 8.915 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 484 Temperature: 1.350000 Total energy: -501.661436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -501.661436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -501.661436 (E_RNA) where: Base-Base interactions energy: -164.624 where: short stacking energy: -123.331 Base-Backbone interact. energy: -0.058 local terms energy: -336.979957 where: bonds (distance) C4'-P energy: -104.476 bonds (distance) P-C4' energy: -101.767 flat angles C4'-P-C4' energy: -90.506 flat angles P-C4'-P energy: -72.265 tors. eta vs tors. theta energy: 32.034 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 485 Temperature: 0.900000 Total energy: -2286.402934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2286.402934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2286.402934 (E_RNA) where: Base-Base interactions energy: -1563.677 where: short stacking energy: -664.116 Base-Backbone interact. energy: -0.935 local terms energy: -721.791759 where: bonds (distance) C4'-P energy: -127.380 bonds (distance) P-C4' energy: -139.498 flat angles C4'-P-C4' energy: -156.185 flat angles P-C4'-P energy: -88.801 tors. eta vs tors. theta energy: -209.928 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 485 Temperature: 0.950000 Total energy: -2257.813546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2257.813546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2257.813546 (E_RNA) where: Base-Base interactions energy: -1526.681 where: short stacking energy: -610.958 Base-Backbone interact. energy: -2.764 local terms energy: -728.367923 where: bonds (distance) C4'-P energy: -127.109 bonds (distance) P-C4' energy: -145.926 flat angles C4'-P-C4' energy: -144.762 flat angles P-C4'-P energy: -101.559 tors. eta vs tors. theta energy: -209.013 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 485 Temperature: 1.000000 Total energy: -2137.808903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2137.808903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2137.808903 (E_RNA) where: Base-Base interactions energy: -1484.988 where: short stacking energy: -627.826 Base-Backbone interact. energy: 1.427 local terms energy: -654.247286 where: bonds (distance) C4'-P energy: -118.563 bonds (distance) P-C4' energy: -101.807 flat angles C4'-P-C4' energy: -134.101 flat angles P-C4'-P energy: -98.195 tors. eta vs tors. theta energy: -201.581 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 485 Temperature: 1.050000 Total energy: -2082.380517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2082.380517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2082.380517 (E_RNA) where: Base-Base interactions energy: -1403.459 where: short stacking energy: -590.248 Base-Backbone interact. energy: -1.757 local terms energy: -677.163828 where: bonds (distance) C4'-P energy: -134.633 bonds (distance) P-C4' energy: -105.269 flat angles C4'-P-C4' energy: -144.889 flat angles P-C4'-P energy: -100.797 tors. eta vs tors. theta energy: -191.576 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: 5 ===================================== Write number: 485 Temperature: 1.100000 Total energy: -1762.912136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1762.912136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1762.912136 (E_RNA) where: Base-Base interactions energy: -1161.476 where: short stacking energy: -506.419 Base-Backbone interact. energy: -0.308 local terms energy: -601.485873 where: bonds (distance) C4'-P energy: -124.559 bonds (distance) P-C4' energy: -103.768 flat angles C4'-P-C4' energy: -126.085 flat angles P-C4'-P energy: -102.622 tors. eta vs tors. theta energy: -144.452 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.358 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 485 Temperature: 1.150000 Total energy: -1541.281903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1541.281903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1541.281903 (E_RNA) where: Base-Base interactions energy: -978.685 where: short stacking energy: -444.870 Base-Backbone interact. energy: -0.555 local terms energy: -562.042675 where: bonds (distance) C4'-P energy: -120.109 bonds (distance) P-C4' energy: -104.788 flat angles C4'-P-C4' energy: -132.742 flat angles P-C4'-P energy: -81.308 tors. eta vs tors. theta energy: -123.095 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 485 Temperature: 1.200000 Total energy: -1396.958625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1396.958625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1396.958625 (E_RNA) where: Base-Base interactions energy: -875.659 where: short stacking energy: -391.768 Base-Backbone interact. energy: -1.322 local terms energy: -519.977415 where: bonds (distance) C4'-P energy: -107.228 bonds (distance) P-C4' energy: -122.152 flat angles C4'-P-C4' energy: -125.488 flat angles P-C4'-P energy: -68.317 tors. eta vs tors. theta energy: -96.792 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 485 Temperature: 1.250000 Total energy: -847.751372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -847.751372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -847.751372 (E_RNA) where: Base-Base interactions energy: -450.911 where: short stacking energy: -225.610 Base-Backbone interact. energy: 0.583 local terms energy: -397.422647 where: bonds (distance) C4'-P energy: -94.670 bonds (distance) P-C4' energy: -102.935 flat angles C4'-P-C4' energy: -107.418 flat angles P-C4'-P energy: -66.170 tors. eta vs tors. theta energy: -26.230 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: 3 ===================================== Write number: 485 Temperature: 1.300000 Total energy: -619.398798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -619.398798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -619.398798 (E_RNA) where: Base-Base interactions energy: -256.334 where: short stacking energy: -166.122 Base-Backbone interact. energy: 1.143 local terms energy: -364.207431 where: bonds (distance) C4'-P energy: -100.584 bonds (distance) P-C4' energy: -120.109 flat angles C4'-P-C4' energy: -102.776 flat angles P-C4'-P energy: -51.131 tors. eta vs tors. theta energy: 10.393 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 485 Temperature: 1.350000 Total energy: -477.052942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -477.052942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -477.052942 (E_RNA) where: Base-Base interactions energy: -140.418 where: short stacking energy: -93.521 Base-Backbone interact. energy: 0.555 local terms energy: -337.190785 where: bonds (distance) C4'-P energy: -122.588 bonds (distance) P-C4' energy: -103.902 flat angles C4'-P-C4' energy: -97.453 flat angles P-C4'-P energy: -48.966 tors. eta vs tors. theta energy: 35.718 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: 1, replica: 8 ===================================== Write number: 486 Temperature: 0.900000 Total energy: -2319.215499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2319.215499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2319.215499 (E_RNA) where: Base-Base interactions energy: -1612.433 where: short stacking energy: -655.288 Base-Backbone interact. energy: -1.030 local terms energy: -705.752583 where: bonds (distance) C4'-P energy: -122.440 bonds (distance) P-C4' energy: -128.043 flat angles C4'-P-C4' energy: -158.141 flat angles P-C4'-P energy: -86.908 tors. eta vs tors. theta energy: -210.221 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 486 Temperature: 0.950000 Total energy: -2229.279190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2229.279190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2229.279190 (E_RNA) where: Base-Base interactions energy: -1474.731 where: short stacking energy: -640.225 Base-Backbone interact. energy: -0.971 local terms energy: -753.577506 where: bonds (distance) C4'-P energy: -150.287 bonds (distance) P-C4' energy: -142.066 flat angles C4'-P-C4' energy: -150.132 flat angles P-C4'-P energy: -111.015 tors. eta vs tors. theta energy: -200.078 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 486 Temperature: 1.000000 Total energy: -2122.653476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2122.653476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2122.653476 (E_RNA) where: Base-Base interactions energy: -1477.003 where: short stacking energy: -628.511 Base-Backbone interact. energy: -2.544 local terms energy: -643.106957 where: bonds (distance) C4'-P energy: -104.738 bonds (distance) P-C4' energy: -122.496 flat angles C4'-P-C4' energy: -132.699 flat angles P-C4'-P energy: -87.309 tors. eta vs tors. theta energy: -195.864 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 486 Temperature: 1.050000 Total energy: -2069.489330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2069.489330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2069.489330 (E_RNA) where: Base-Base interactions energy: -1395.731 where: short stacking energy: -595.233 Base-Backbone interact. energy: -0.795 local terms energy: -672.963737 where: bonds (distance) C4'-P energy: -125.392 bonds (distance) P-C4' energy: -119.144 flat angles C4'-P-C4' energy: -147.224 flat angles P-C4'-P energy: -86.250 tors. eta vs tors. theta energy: -194.954 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 486 Temperature: 1.100000 Total energy: -1747.845843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1747.845843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1747.845843 (E_RNA) where: Base-Base interactions energy: -1141.325 where: short stacking energy: -488.323 Base-Backbone interact. energy: -0.924 local terms energy: -605.596766 where: bonds (distance) C4'-P energy: -117.060 bonds (distance) P-C4' energy: -124.591 flat angles C4'-P-C4' energy: -143.525 flat angles P-C4'-P energy: -81.140 tors. eta vs tors. theta energy: -139.281 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 486 Temperature: 1.150000 Total energy: -1528.738380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1528.738380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1528.738380 (E_RNA) where: Base-Base interactions energy: -982.306 where: short stacking energy: -422.190 Base-Backbone interact. energy: -2.770 local terms energy: -543.661769 where: bonds (distance) C4'-P energy: -96.191 bonds (distance) P-C4' energy: -123.760 flat angles C4'-P-C4' energy: -117.736 flat angles P-C4'-P energy: -90.328 tors. eta vs tors. theta energy: -115.647 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 486 Temperature: 1.200000 Total energy: -1350.146394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1350.146394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1350.146394 (E_RNA) where: Base-Base interactions energy: -857.259 where: short stacking energy: -366.155 Base-Backbone interact. energy: 1.344 local terms energy: -494.231661 where: bonds (distance) C4'-P energy: -125.295 bonds (distance) P-C4' energy: -106.046 flat angles C4'-P-C4' energy: -112.270 flat angles P-C4'-P energy: -76.158 tors. eta vs tors. theta energy: -74.463 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 486 Temperature: 1.250000 Total energy: -868.747284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -868.747284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -868.747284 (E_RNA) where: Base-Base interactions energy: -434.777 where: short stacking energy: -239.111 Base-Backbone interact. energy: -0.721 local terms energy: -433.249909 where: bonds (distance) C4'-P energy: -113.950 bonds (distance) P-C4' energy: -119.850 flat angles C4'-P-C4' energy: -107.046 flat angles P-C4'-P energy: -71.820 tors. eta vs tors. theta energy: -20.584 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 486 Temperature: 1.300000 Total energy: -630.478003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -630.478003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -630.478003 (E_RNA) where: Base-Base interactions energy: -277.559 where: short stacking energy: -177.375 Base-Backbone interact. energy: -1.143 local terms energy: -351.776405 where: bonds (distance) C4'-P energy: -100.037 bonds (distance) P-C4' energy: -110.632 flat angles C4'-P-C4' energy: -92.259 flat angles P-C4'-P energy: -57.666 tors. eta vs tors. theta energy: 8.818 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 486 Temperature: 1.350000 Total energy: -472.748433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -472.748433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -472.748433 (E_RNA) where: Base-Base interactions energy: -162.141 where: short stacking energy: -120.125 Base-Backbone interact. energy: 11.425 local terms energy: -322.032894 where: bonds (distance) C4'-P energy: -100.177 bonds (distance) P-C4' energy: -116.130 flat angles C4'-P-C4' energy: -90.855 flat angles P-C4'-P energy: -50.663 tors. eta vs tors. theta energy: 35.792 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: 8 ===================================== Write number: 487 Temperature: 0.900000 Total energy: -2294.785038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2294.785038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2294.785038 (E_RNA) where: Base-Base interactions energy: -1580.053 where: short stacking energy: -642.648 Base-Backbone interact. energy: -2.632 local terms energy: -712.099698 where: bonds (distance) C4'-P energy: -131.129 bonds (distance) P-C4' energy: -144.232 flat angles C4'-P-C4' energy: -148.624 flat angles P-C4'-P energy: -79.942 tors. eta vs tors. theta energy: -208.172 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 487 Temperature: 0.950000 Total energy: -2200.301526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2200.301526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2200.301526 (E_RNA) where: Base-Base interactions energy: -1524.664 where: short stacking energy: -620.319 Base-Backbone interact. energy: -2.599 local terms energy: -673.038554 where: bonds (distance) C4'-P energy: -124.048 bonds (distance) P-C4' energy: -124.656 flat angles C4'-P-C4' energy: -141.993 flat angles P-C4'-P energy: -82.275 tors. eta vs tors. theta energy: -200.066 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: 7 ===================================== Write number: 487 Temperature: 1.000000 Total energy: -2126.570267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2126.570267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2126.570267 (E_RNA) where: Base-Base interactions energy: -1455.395 where: short stacking energy: -608.713 Base-Backbone interact. energy: -3.571 local terms energy: -667.604901 where: bonds (distance) C4'-P energy: -114.408 bonds (distance) P-C4' energy: -125.097 flat angles C4'-P-C4' energy: -140.063 flat angles P-C4'-P energy: -96.443 tors. eta vs tors. theta energy: -191.594 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: 2 ===================================== Write number: 487 Temperature: 1.050000 Total energy: -2089.818964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2089.818964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2089.818964 (E_RNA) where: Base-Base interactions energy: -1439.395 where: short stacking energy: -611.597 Base-Backbone interact. energy: -1.175 local terms energy: -649.248287 where: bonds (distance) C4'-P energy: -102.946 bonds (distance) P-C4' energy: -126.186 flat angles C4'-P-C4' energy: -146.950 flat angles P-C4'-P energy: -81.695 tors. eta vs tors. theta energy: -191.471 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 487 Temperature: 1.100000 Total energy: -1808.024500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1808.024500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1808.024500 (E_RNA) where: Base-Base interactions energy: -1222.396 where: short stacking energy: -534.659 Base-Backbone interact. energy: -0.563 local terms energy: -585.065580 where: bonds (distance) C4'-P energy: -111.467 bonds (distance) P-C4' energy: -115.827 flat angles C4'-P-C4' energy: -123.803 flat angles P-C4'-P energy: -73.830 tors. eta vs tors. theta energy: -160.139 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: 1 ===================================== Write number: 487 Temperature: 1.150000 Total energy: -1547.407808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1547.407808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1547.407808 (E_RNA) where: Base-Base interactions energy: -1028.561 where: short stacking energy: -437.334 Base-Backbone interact. energy: 3.397 local terms energy: -522.244353 where: bonds (distance) C4'-P energy: -113.548 bonds (distance) P-C4' energy: -114.184 flat angles C4'-P-C4' energy: -117.690 flat angles P-C4'-P energy: -67.895 tors. eta vs tors. theta energy: -108.928 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: 10 ===================================== Write number: 487 Temperature: 1.200000 Total energy: -1366.506962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1366.506962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1366.506962 (E_RNA) where: Base-Base interactions energy: -867.695 where: short stacking energy: -364.130 Base-Backbone interact. energy: -3.622 local terms energy: -495.189710 where: bonds (distance) C4'-P energy: -109.613 bonds (distance) P-C4' energy: -112.339 flat angles C4'-P-C4' energy: -127.143 flat angles P-C4'-P energy: -56.820 tors. eta vs tors. theta energy: -89.274 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 487 Temperature: 1.250000 Total energy: -805.621357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -805.621357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -805.621357 (E_RNA) where: Base-Base interactions energy: -393.796 where: short stacking energy: -231.142 Base-Backbone interact. energy: 2.203 local terms energy: -414.028568 where: bonds (distance) C4'-P energy: -108.888 bonds (distance) P-C4' energy: -123.332 flat angles C4'-P-C4' energy: -94.124 flat angles P-C4'-P energy: -77.648 tors. eta vs tors. theta energy: -10.036 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: 3 ===================================== Write number: 487 Temperature: 1.300000 Total energy: -652.778252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -652.778252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -652.778252 (E_RNA) where: Base-Base interactions energy: -272.695 where: short stacking energy: -168.339 Base-Backbone interact. energy: 4.107 local terms energy: -384.190653 where: bonds (distance) C4'-P energy: -115.108 bonds (distance) P-C4' energy: -108.634 flat angles C4'-P-C4' energy: -111.655 flat angles P-C4'-P energy: -58.433 tors. eta vs tors. theta energy: 9.640 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 487 Temperature: 1.350000 Total energy: -507.751956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -507.751956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -507.751956 (E_RNA) where: Base-Base interactions energy: -169.663 where: short stacking energy: -123.703 Base-Backbone interact. energy: 0.222 local terms energy: -340.102433 where: bonds (distance) C4'-P energy: -95.488 bonds (distance) P-C4' energy: -126.139 flat angles C4'-P-C4' energy: -97.358 flat angles P-C4'-P energy: -60.800 tors. eta vs tors. theta energy: 39.683 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 1.792 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 488 Temperature: 0.900000 Total energy: -2303.819929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2303.819929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2303.819929 (E_RNA) where: Base-Base interactions energy: -1578.204 where: short stacking energy: -641.940 Base-Backbone interact. energy: -2.370 local terms energy: -723.246144 where: bonds (distance) C4'-P energy: -122.978 bonds (distance) P-C4' energy: -135.964 flat angles C4'-P-C4' energy: -155.376 flat angles P-C4'-P energy: -101.968 tors. eta vs tors. theta energy: -206.961 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 488 Temperature: 0.950000 Total energy: -2212.948372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2212.948372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2212.948372 (E_RNA) where: Base-Base interactions energy: -1516.231 where: short stacking energy: -641.831 Base-Backbone interact. energy: -0.330 local terms energy: -696.387599 where: bonds (distance) C4'-P energy: -135.442 bonds (distance) P-C4' energy: -125.836 flat angles C4'-P-C4' energy: -144.411 flat angles P-C4'-P energy: -89.942 tors. eta vs tors. theta energy: -200.757 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: 7 ===================================== Write number: 488 Temperature: 1.000000 Total energy: -2143.737474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2143.737474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2143.737474 (E_RNA) where: Base-Base interactions energy: -1451.480 where: short stacking energy: -634.899 Base-Backbone interact. energy: -2.432 local terms energy: -689.825974 where: bonds (distance) C4'-P energy: -114.163 bonds (distance) P-C4' energy: -127.140 flat angles C4'-P-C4' energy: -149.898 flat angles P-C4'-P energy: -95.226 tors. eta vs tors. theta energy: -203.398 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 488 Temperature: 1.050000 Total energy: -2046.886214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2046.886214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2046.886214 (E_RNA) where: Base-Base interactions energy: -1387.162 where: short stacking energy: -601.679 Base-Backbone interact. energy: -1.396 local terms energy: -658.328247 where: bonds (distance) C4'-P energy: -126.729 bonds (distance) P-C4' energy: -116.389 flat angles C4'-P-C4' energy: -143.287 flat angles P-C4'-P energy: -75.757 tors. eta vs tors. theta energy: -196.166 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 488 Temperature: 1.100000 Total energy: -1844.228707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1844.228707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1844.228707 (E_RNA) where: Base-Base interactions energy: -1202.864 where: short stacking energy: -543.556 Base-Backbone interact. energy: -3.292 local terms energy: -638.072429 where: bonds (distance) C4'-P energy: -132.080 bonds (distance) P-C4' energy: -120.084 flat angles C4'-P-C4' energy: -133.308 flat angles P-C4'-P energy: -81.599 tors. eta vs tors. theta energy: -171.002 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: 6, replica: 1 ===================================== Write number: 488 Temperature: 1.150000 Total energy: -1585.986598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1585.986598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1585.986598 (E_RNA) where: Base-Base interactions energy: -1042.099 where: short stacking energy: -425.832 Base-Backbone interact. energy: -1.193 local terms energy: -542.694602 where: bonds (distance) C4'-P energy: -112.476 bonds (distance) P-C4' energy: -123.087 flat angles C4'-P-C4' energy: -122.768 flat angles P-C4'-P energy: -71.449 tors. eta vs tors. theta energy: -112.915 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 488 Temperature: 1.200000 Total energy: -1395.117445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1395.117445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1395.117445 (E_RNA) where: Base-Base interactions energy: -880.006 where: short stacking energy: -364.280 Base-Backbone interact. energy: -1.005 local terms energy: -514.106497 where: bonds (distance) C4'-P energy: -117.971 bonds (distance) P-C4' energy: -107.081 flat angles C4'-P-C4' energy: -134.076 flat angles P-C4'-P energy: -76.266 tors. eta vs tors. theta energy: -78.712 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 488 Temperature: 1.250000 Total energy: -808.455896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -808.455896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -808.455896 (E_RNA) where: Base-Base interactions energy: -447.471 where: short stacking energy: -237.454 Base-Backbone interact. energy: 4.097 local terms energy: -365.082534 where: bonds (distance) C4'-P energy: -105.171 bonds (distance) P-C4' energy: -111.404 flat angles C4'-P-C4' energy: -90.929 flat angles P-C4'-P energy: -61.761 tors. eta vs tors. theta energy: 4.183 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: 3 ===================================== Write number: 488 Temperature: 1.300000 Total energy: -640.643469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -640.643469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -640.643469 (E_RNA) where: Base-Base interactions energy: -278.134 where: short stacking energy: -173.903 Base-Backbone interact. energy: 6.258 local terms energy: -368.767364 where: bonds (distance) C4'-P energy: -109.320 bonds (distance) P-C4' energy: -129.946 flat angles C4'-P-C4' energy: -109.095 flat angles P-C4'-P energy: -40.669 tors. eta vs tors. theta energy: 20.263 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 488 Temperature: 1.350000 Total energy: -469.496276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -469.496276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -469.496276 (E_RNA) where: Base-Base interactions energy: -164.861 where: short stacking energy: -136.065 Base-Backbone interact. energy: -3.755 local terms energy: -300.880212 where: bonds (distance) C4'-P energy: -95.808 bonds (distance) P-C4' energy: -108.022 flat angles C4'-P-C4' energy: -68.116 flat angles P-C4'-P energy: -61.961 tors. eta vs tors. theta energy: 33.027 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 489 Temperature: 0.900000 Total energy: -2309.841163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2309.841163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2309.841163 (E_RNA) where: Base-Base interactions energy: -1561.355 where: short stacking energy: -649.161 Base-Backbone interact. energy: -3.763 local terms energy: -744.722829 where: bonds (distance) C4'-P energy: -138.449 bonds (distance) P-C4' energy: -147.976 flat angles C4'-P-C4' energy: -145.183 flat angles P-C4'-P energy: -102.458 tors. eta vs tors. theta energy: -210.657 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 489 Temperature: 0.950000 Total energy: -2201.899132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2201.899132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2201.899132 (E_RNA) where: Base-Base interactions energy: -1480.316 where: short stacking energy: -623.880 Base-Backbone interact. energy: -1.357 local terms energy: -720.225865 where: bonds (distance) C4'-P energy: -141.809 bonds (distance) P-C4' energy: -123.212 flat angles C4'-P-C4' energy: -155.651 flat angles P-C4'-P energy: -91.302 tors. eta vs tors. theta energy: -208.252 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 489 Temperature: 1.000000 Total energy: -2144.546090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2144.546090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2144.546090 (E_RNA) where: Base-Base interactions energy: -1461.187 where: short stacking energy: -607.685 Base-Backbone interact. energy: -2.457 local terms energy: -680.902734 where: bonds (distance) C4'-P energy: -122.921 bonds (distance) P-C4' energy: -115.407 flat angles C4'-P-C4' energy: -145.807 flat angles P-C4'-P energy: -96.558 tors. eta vs tors. theta energy: -200.210 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 489 Temperature: 1.050000 Total energy: -2063.961377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2063.961377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2063.961377 (E_RNA) where: Base-Base interactions energy: -1408.183 where: short stacking energy: -586.199 Base-Backbone interact. energy: -2.864 local terms energy: -652.914429 where: bonds (distance) C4'-P energy: -121.012 bonds (distance) P-C4' energy: -133.498 flat angles C4'-P-C4' energy: -135.198 flat angles P-C4'-P energy: -82.805 tors. eta vs tors. theta energy: -180.402 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: 5 ===================================== Write number: 489 Temperature: 1.100000 Total energy: -1808.381732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1808.381732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1808.381732 (E_RNA) where: Base-Base interactions energy: -1224.538 where: short stacking energy: -537.941 Base-Backbone interact. energy: -0.916 local terms energy: -582.927592 where: bonds (distance) C4'-P energy: -101.574 bonds (distance) P-C4' energy: -109.830 flat angles C4'-P-C4' energy: -122.381 flat angles P-C4'-P energy: -86.585 tors. eta vs tors. theta energy: -162.558 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: 6, replica: 1 ===================================== Write number: 489 Temperature: 1.150000 Total energy: -1553.798180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1553.798180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1553.798180 (E_RNA) where: Base-Base interactions energy: -1020.142 where: short stacking energy: -443.534 Base-Backbone interact. energy: -0.379 local terms energy: -533.277442 where: bonds (distance) C4'-P energy: -115.591 bonds (distance) P-C4' energy: -105.268 flat angles C4'-P-C4' energy: -135.984 flat angles P-C4'-P energy: -75.657 tors. eta vs tors. theta energy: -100.777 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 489 Temperature: 1.200000 Total energy: -1437.690676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1437.690676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1437.690676 (E_RNA) where: Base-Base interactions energy: -917.108 where: short stacking energy: -411.267 Base-Backbone interact. energy: -3.529 local terms energy: -517.053818 where: bonds (distance) C4'-P energy: -115.436 bonds (distance) P-C4' energy: -103.849 flat angles C4'-P-C4' energy: -129.662 flat angles P-C4'-P energy: -76.884 tors. eta vs tors. theta energy: -91.223 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 489 Temperature: 1.250000 Total energy: -821.930515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -821.930515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -821.930515 (E_RNA) where: Base-Base interactions energy: -418.370 where: short stacking energy: -247.041 Base-Backbone interact. energy: -0.945 local terms energy: -402.615989 where: bonds (distance) C4'-P energy: -118.402 bonds (distance) P-C4' energy: -129.314 flat angles C4'-P-C4' energy: -79.125 flat angles P-C4'-P energy: -56.995 tors. eta vs tors. theta energy: -18.780 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 489 Temperature: 1.300000 Total energy: -603.427910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -603.427910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -603.427910 (E_RNA) where: Base-Base interactions energy: -268.191 where: short stacking energy: -160.948 Base-Backbone interact. energy: 2.224 local terms energy: -337.460334 where: bonds (distance) C4'-P energy: -98.114 bonds (distance) P-C4' energy: -125.781 flat angles C4'-P-C4' energy: -68.269 flat angles P-C4'-P energy: -59.130 tors. eta vs tors. theta energy: 13.833 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 489 Temperature: 1.350000 Total energy: -476.767469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -476.767469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -476.767469 (E_RNA) where: Base-Base interactions energy: -157.519 where: short stacking energy: -144.467 Base-Backbone interact. energy: 0.147 local terms energy: -319.395541 where: bonds (distance) C4'-P energy: -101.664 bonds (distance) P-C4' energy: -108.689 flat angles C4'-P-C4' energy: -88.904 flat angles P-C4'-P energy: -43.563 tors. eta vs tors. theta energy: 23.425 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 490 Temperature: 0.900000 Total energy: -2270.296446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2270.296446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2270.296446 (E_RNA) where: Base-Base interactions energy: -1542.736 where: short stacking energy: -646.264 Base-Backbone interact. energy: -1.978 local terms energy: -725.582789 where: bonds (distance) C4'-P energy: -131.184 bonds (distance) P-C4' energy: -128.589 flat angles C4'-P-C4' energy: -149.253 flat angles P-C4'-P energy: -100.973 tors. eta vs tors. theta energy: -215.584 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: 6 ===================================== Write number: 490 Temperature: 0.950000 Total energy: -2197.044984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2197.044984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2197.044984 (E_RNA) where: Base-Base interactions energy: -1490.130 where: short stacking energy: -601.560 Base-Backbone interact. energy: -2.019 local terms energy: -704.895993 where: bonds (distance) C4'-P energy: -138.847 bonds (distance) P-C4' energy: -136.124 flat angles C4'-P-C4' energy: -131.216 flat angles P-C4'-P energy: -96.391 tors. eta vs tors. theta energy: -202.317 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: 7 ===================================== Write number: 490 Temperature: 1.000000 Total energy: -2149.582196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2149.582196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2149.582196 (E_RNA) where: Base-Base interactions energy: -1475.664 where: short stacking energy: -611.172 Base-Backbone interact. energy: -3.560 local terms energy: -670.358814 where: bonds (distance) C4'-P energy: -119.910 bonds (distance) P-C4' energy: -117.861 flat angles C4'-P-C4' energy: -148.401 flat angles P-C4'-P energy: -85.125 tors. eta vs tors. theta energy: -199.062 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: 2 ===================================== Write number: 490 Temperature: 1.050000 Total energy: -2061.636312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2061.636312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2061.636312 (E_RNA) where: Base-Base interactions energy: -1419.349 where: short stacking energy: -597.045 Base-Backbone interact. energy: 1.048 local terms energy: -643.335380 where: bonds (distance) C4'-P energy: -109.535 bonds (distance) P-C4' energy: -111.834 flat angles C4'-P-C4' energy: -129.090 flat angles P-C4'-P energy: -94.989 tors. eta vs tors. theta energy: -197.887 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: 5 ===================================== Write number: 490 Temperature: 1.100000 Total energy: -1885.319399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1885.319399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1885.319399 (E_RNA) where: Base-Base interactions energy: -1290.270 where: short stacking energy: -538.584 Base-Backbone interact. energy: -3.363 local terms energy: -591.687039 where: bonds (distance) C4'-P energy: -96.591 bonds (distance) P-C4' energy: -115.558 flat angles C4'-P-C4' energy: -119.242 flat angles P-C4'-P energy: -92.913 tors. eta vs tors. theta energy: -167.383 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: 1 ===================================== Write number: 490 Temperature: 1.150000 Total energy: -1515.210190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1515.210190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1515.210190 (E_RNA) where: Base-Base interactions energy: -967.024 where: short stacking energy: -405.807 Base-Backbone interact. energy: 0.461 local terms energy: -548.646486 where: bonds (distance) C4'-P energy: -127.314 bonds (distance) P-C4' energy: -114.688 flat angles C4'-P-C4' energy: -128.542 flat angles P-C4'-P energy: -82.917 tors. eta vs tors. theta energy: -95.185 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 490 Temperature: 1.200000 Total energy: -1413.662264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1413.662264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1413.662264 (E_RNA) where: Base-Base interactions energy: -877.152 where: short stacking energy: -391.091 Base-Backbone interact. energy: -3.802 local terms energy: -532.707870 where: bonds (distance) C4'-P energy: -115.546 bonds (distance) P-C4' energy: -138.866 flat angles C4'-P-C4' energy: -110.902 flat angles P-C4'-P energy: -66.998 tors. eta vs tors. theta energy: -100.396 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: 8, replica: 9 ===================================== Write number: 490 Temperature: 1.250000 Total energy: -830.481580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -830.481580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -830.481580 (E_RNA) where: Base-Base interactions energy: -431.714 where: short stacking energy: -218.699 Base-Backbone interact. energy: -2.090 local terms energy: -396.678181 where: bonds (distance) C4'-P energy: -106.777 bonds (distance) P-C4' energy: -112.885 flat angles C4'-P-C4' energy: -106.647 flat angles P-C4'-P energy: -54.247 tors. eta vs tors. theta energy: -16.124 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 490 Temperature: 1.300000 Total energy: -626.114571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -626.114571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -626.114571 (E_RNA) where: Base-Base interactions energy: -258.697 where: short stacking energy: -147.852 Base-Backbone interact. energy: 2.585 local terms energy: -370.002429 where: bonds (distance) C4'-P energy: -105.215 bonds (distance) P-C4' energy: -124.325 flat angles C4'-P-C4' energy: -107.983 flat angles P-C4'-P energy: -60.041 tors. eta vs tors. theta energy: 27.561 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 490 Temperature: 1.350000 Total energy: -470.513992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -470.513992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -470.513992 (E_RNA) where: Base-Base interactions energy: -155.452 where: short stacking energy: -117.758 Base-Backbone interact. energy: -1.362 local terms energy: -313.699618 where: bonds (distance) C4'-P energy: -115.913 bonds (distance) P-C4' energy: -116.265 flat angles C4'-P-C4' energy: -86.920 flat angles P-C4'-P energy: -34.760 tors. eta vs tors. theta energy: 40.158 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 491 Temperature: 0.900000 Total energy: -2304.463799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2304.463799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2304.463799 (E_RNA) where: Base-Base interactions energy: -1569.234 where: short stacking energy: -646.975 Base-Backbone interact. energy: -2.800 local terms energy: -732.429201 where: bonds (distance) C4'-P energy: -129.250 bonds (distance) P-C4' energy: -139.633 flat angles C4'-P-C4' energy: -150.708 flat angles P-C4'-P energy: -97.584 tors. eta vs tors. theta energy: -215.255 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: 6 ===================================== Write number: 491 Temperature: 0.950000 Total energy: -2222.618890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2222.618890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2222.618890 (E_RNA) where: Base-Base interactions energy: -1524.647 where: short stacking energy: -624.928 Base-Backbone interact. energy: -4.292 local terms energy: -693.680580 where: bonds (distance) C4'-P energy: -119.902 bonds (distance) P-C4' energy: -139.726 flat angles C4'-P-C4' energy: -143.963 flat angles P-C4'-P energy: -92.275 tors. eta vs tors. theta energy: -197.814 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 491 Temperature: 1.000000 Total energy: -2122.610798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2122.610798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2122.610798 (E_RNA) where: Base-Base interactions energy: -1428.550 where: short stacking energy: -610.671 Base-Backbone interact. energy: 2.208 local terms energy: -696.268561 where: bonds (distance) C4'-P energy: -129.039 bonds (distance) P-C4' energy: -116.851 flat angles C4'-P-C4' energy: -149.968 flat angles P-C4'-P energy: -93.669 tors. eta vs tors. theta energy: -206.740 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 491 Temperature: 1.050000 Total energy: -2043.929081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2043.929081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2043.929081 (E_RNA) where: Base-Base interactions energy: -1386.700 where: short stacking energy: -573.975 Base-Backbone interact. energy: -0.365 local terms energy: -656.863793 where: bonds (distance) C4'-P energy: -111.770 bonds (distance) P-C4' energy: -126.472 flat angles C4'-P-C4' energy: -147.901 flat angles P-C4'-P energy: -82.605 tors. eta vs tors. theta energy: -188.115 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: 5 ===================================== Write number: 491 Temperature: 1.100000 Total energy: -1839.556989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1839.556989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1839.556989 (E_RNA) where: Base-Base interactions energy: -1217.815 where: short stacking energy: -547.537 Base-Backbone interact. energy: -1.963 local terms energy: -619.779475 where: bonds (distance) C4'-P energy: -115.001 bonds (distance) P-C4' energy: -114.349 flat angles C4'-P-C4' energy: -130.419 flat angles P-C4'-P energy: -89.357 tors. eta vs tors. theta energy: -170.653 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 491 Temperature: 1.150000 Total energy: -1552.666281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1552.666281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1552.666281 (E_RNA) where: Base-Base interactions energy: -998.513 where: short stacking energy: -445.299 Base-Backbone interact. energy: -5.047 local terms energy: -549.107171 where: bonds (distance) C4'-P energy: -115.878 bonds (distance) P-C4' energy: -134.383 flat angles C4'-P-C4' energy: -113.420 flat angles P-C4'-P energy: -69.228 tors. eta vs tors. theta energy: -116.199 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 491 Temperature: 1.200000 Total energy: -1399.995400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1399.995400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1399.995400 (E_RNA) where: Base-Base interactions energy: -952.679 where: short stacking energy: -389.305 Base-Backbone interact. energy: -0.488 local terms energy: -446.829010 where: bonds (distance) C4'-P energy: -98.581 bonds (distance) P-C4' energy: -99.620 flat angles C4'-P-C4' energy: -98.592 flat angles P-C4'-P energy: -63.930 tors. eta vs tors. theta energy: -86.107 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 491 Temperature: 1.250000 Total energy: -815.000889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -815.000889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -815.000889 (E_RNA) where: Base-Base interactions energy: -402.612 where: short stacking energy: -217.549 Base-Backbone interact. energy: 6.500 local terms energy: -418.888254 where: bonds (distance) C4'-P energy: -107.100 bonds (distance) P-C4' energy: -113.751 flat angles C4'-P-C4' energy: -103.448 flat angles P-C4'-P energy: -66.699 tors. eta vs tors. theta energy: -27.890 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: 9, replica: 3 ===================================== Write number: 491 Temperature: 1.300000 Total energy: -650.412123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.412123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -650.412123 (E_RNA) where: Base-Base interactions energy: -284.989 where: short stacking energy: -163.874 Base-Backbone interact. energy: 2.480 local terms energy: -367.902756 where: bonds (distance) C4'-P energy: -113.915 bonds (distance) P-C4' energy: -98.710 flat angles C4'-P-C4' energy: -88.215 flat angles P-C4'-P energy: -72.046 tors. eta vs tors. theta energy: 4.984 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 491 Temperature: 1.350000 Total energy: -468.748569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -468.748569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -468.748569 (E_RNA) where: Base-Base interactions energy: -131.090 where: short stacking energy: -98.500 Base-Backbone interact. energy: -0.502 local terms energy: -337.156608 where: bonds (distance) C4'-P energy: -111.474 bonds (distance) P-C4' energy: -117.439 flat angles C4'-P-C4' energy: -104.969 flat angles P-C4'-P energy: -42.414 tors. eta vs tors. theta energy: 39.139 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: 8 ===================================== Write number: 492 Temperature: 0.900000 Total energy: -2308.388754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2308.388754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2308.388754 (E_RNA) where: Base-Base interactions energy: -1568.577 where: short stacking energy: -655.321 Base-Backbone interact. energy: -2.229 local terms energy: -737.582176 where: bonds (distance) C4'-P energy: -138.214 bonds (distance) P-C4' energy: -126.833 flat angles C4'-P-C4' energy: -152.924 flat angles P-C4'-P energy: -108.446 tors. eta vs tors. theta energy: -211.166 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 492 Temperature: 0.950000 Total energy: -2229.347779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2229.347779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2229.347779 (E_RNA) where: Base-Base interactions energy: -1508.071 where: short stacking energy: -643.207 Base-Backbone interact. energy: -0.062 local terms energy: -721.215102 where: bonds (distance) C4'-P energy: -115.907 bonds (distance) P-C4' energy: -136.798 flat angles C4'-P-C4' energy: -155.773 flat angles P-C4'-P energy: -111.638 tors. eta vs tors. theta energy: -201.100 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: 7 ===================================== Write number: 492 Temperature: 1.000000 Total energy: -2131.522327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2131.522327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2131.522327 (E_RNA) where: Base-Base interactions energy: -1438.021 where: short stacking energy: -628.748 Base-Backbone interact. energy: 0.656 local terms energy: -694.156618 where: bonds (distance) C4'-P energy: -125.966 bonds (distance) P-C4' energy: -136.392 flat angles C4'-P-C4' energy: -141.898 flat angles P-C4'-P energy: -90.279 tors. eta vs tors. theta energy: -199.621 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: 2 ===================================== Write number: 492 Temperature: 1.050000 Total energy: -2038.434242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2038.434242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2038.434242 (E_RNA) where: Base-Base interactions energy: -1393.107 where: short stacking energy: -577.557 Base-Backbone interact. energy: -2.456 local terms energy: -642.871963 where: bonds (distance) C4'-P energy: -123.394 bonds (distance) P-C4' energy: -129.816 flat angles C4'-P-C4' energy: -132.784 flat angles P-C4'-P energy: -82.607 tors. eta vs tors. theta energy: -174.271 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 492 Temperature: 1.100000 Total energy: -1781.164593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1781.164593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1781.164593 (E_RNA) where: Base-Base interactions energy: -1152.606 where: short stacking energy: -516.623 Base-Backbone interact. energy: 1.970 local terms energy: -630.528577 where: bonds (distance) C4'-P energy: -108.011 bonds (distance) P-C4' energy: -117.961 flat angles C4'-P-C4' energy: -149.125 flat angles P-C4'-P energy: -92.943 tors. eta vs tors. theta energy: -162.489 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: 10 ===================================== Write number: 492 Temperature: 1.150000 Total energy: -1572.507579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1572.507579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1572.507579 (E_RNA) where: Base-Base interactions energy: -994.682 where: short stacking energy: -448.322 Base-Backbone interact. energy: 1.375 local terms energy: -579.201096 where: bonds (distance) C4'-P energy: -122.621 bonds (distance) P-C4' energy: -130.035 flat angles C4'-P-C4' energy: -125.102 flat angles P-C4'-P energy: -85.214 tors. eta vs tors. theta energy: -116.228 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 492 Temperature: 1.200000 Total energy: -1206.455585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1206.455585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1206.455585 (E_RNA) where: Base-Base interactions energy: -719.128 where: short stacking energy: -320.436 Base-Backbone interact. energy: 1.373 local terms energy: -488.700237 where: bonds (distance) C4'-P energy: -111.660 bonds (distance) P-C4' energy: -124.761 flat angles C4'-P-C4' energy: -112.466 flat angles P-C4'-P energy: -72.487 tors. eta vs tors. theta energy: -67.326 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: 9 ===================================== Write number: 492 Temperature: 1.250000 Total energy: -835.608133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -835.608133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -835.608133 (E_RNA) where: Base-Base interactions energy: -421.552 where: short stacking energy: -230.076 Base-Backbone interact. energy: 3.162 local terms energy: -417.217762 where: bonds (distance) C4'-P energy: -119.124 bonds (distance) P-C4' energy: -108.561 flat angles C4'-P-C4' energy: -93.202 flat angles P-C4'-P energy: -65.030 tors. eta vs tors. theta energy: -31.300 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 492 Temperature: 1.300000 Total energy: -634.106166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -634.106166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -634.106166 (E_RNA) where: Base-Base interactions energy: -247.114 where: short stacking energy: -177.117 Base-Backbone interact. energy: 0.686 local terms energy: -387.677433 where: bonds (distance) C4'-P energy: -120.058 bonds (distance) P-C4' energy: -111.889 flat angles C4'-P-C4' energy: -100.611 flat angles P-C4'-P energy: -55.068 tors. eta vs tors. theta energy: -0.050 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: 4 ===================================== Write number: 492 Temperature: 1.350000 Total energy: -487.000519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -487.000519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -487.000519 (E_RNA) where: Base-Base interactions energy: -157.956 where: short stacking energy: -113.083 Base-Backbone interact. energy: 2.609 local terms energy: -331.653585 where: bonds (distance) C4'-P energy: -104.384 bonds (distance) P-C4' energy: -100.250 flat angles C4'-P-C4' energy: -91.182 flat angles P-C4'-P energy: -68.344 tors. eta vs tors. theta energy: 32.506 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: 493 Temperature: 0.900000 Total energy: -2288.084343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2288.084343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2288.084343 (E_RNA) where: Base-Base interactions energy: -1572.321 where: short stacking energy: -645.314 Base-Backbone interact. energy: -3.513 local terms energy: -712.251134 where: bonds (distance) C4'-P energy: -114.272 bonds (distance) P-C4' energy: -132.659 flat angles C4'-P-C4' energy: -143.161 flat angles P-C4'-P energy: -113.046 tors. eta vs tors. theta energy: -209.113 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 493 Temperature: 0.950000 Total energy: -2185.459120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2185.459120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2185.459120 (E_RNA) where: Base-Base interactions energy: -1466.981 where: short stacking energy: -613.507 Base-Backbone interact. energy: -3.282 local terms energy: -715.196483 where: bonds (distance) C4'-P energy: -130.384 bonds (distance) P-C4' energy: -130.364 flat angles C4'-P-C4' energy: -144.057 flat angles P-C4'-P energy: -106.874 tors. eta vs tors. theta energy: -203.517 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 493 Temperature: 1.000000 Total energy: -2131.788331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2131.788331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2131.788331 (E_RNA) where: Base-Base interactions energy: -1453.868 where: short stacking energy: -629.135 Base-Backbone interact. energy: -0.331 local terms energy: -677.588702 where: bonds (distance) C4'-P energy: -120.550 bonds (distance) P-C4' energy: -119.882 flat angles C4'-P-C4' energy: -150.179 flat angles P-C4'-P energy: -89.733 tors. eta vs tors. theta energy: -197.245 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: 2 ===================================== Write number: 493 Temperature: 1.050000 Total energy: -2049.521798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2049.521798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2049.521798 (E_RNA) where: Base-Base interactions energy: -1406.580 where: short stacking energy: -559.507 Base-Backbone interact. energy: -3.413 local terms energy: -639.528656 where: bonds (distance) C4'-P energy: -112.081 bonds (distance) P-C4' energy: -132.173 flat angles C4'-P-C4' energy: -132.693 flat angles P-C4'-P energy: -82.693 tors. eta vs tors. theta energy: -179.890 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 493 Temperature: 1.100000 Total energy: -1733.915191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1733.915191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1733.915191 (E_RNA) where: Base-Base interactions energy: -1133.212 where: short stacking energy: -473.071 Base-Backbone interact. energy: -0.872 local terms energy: -599.831384 where: bonds (distance) C4'-P energy: -129.775 bonds (distance) P-C4' energy: -120.696 flat angles C4'-P-C4' energy: -130.218 flat angles P-C4'-P energy: -86.211 tors. eta vs tors. theta energy: -132.931 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: 10 ===================================== Write number: 493 Temperature: 1.150000 Total energy: -1560.883145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1560.883145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1560.883145 (E_RNA) where: Base-Base interactions energy: -984.118 where: short stacking energy: -432.319 Base-Backbone interact. energy: -1.350 local terms energy: -575.415224 where: bonds (distance) C4'-P energy: -108.997 bonds (distance) P-C4' energy: -129.711 flat angles C4'-P-C4' energy: -130.417 flat angles P-C4'-P energy: -75.393 tors. eta vs tors. theta energy: -130.896 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 493 Temperature: 1.200000 Total energy: -1212.463203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1212.463203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1212.463203 (E_RNA) where: Base-Base interactions energy: -738.071 where: short stacking energy: -318.337 Base-Backbone interact. energy: 2.692 local terms energy: -477.083517 where: bonds (distance) C4'-P energy: -105.314 bonds (distance) P-C4' energy: -117.798 flat angles C4'-P-C4' energy: -125.932 flat angles P-C4'-P energy: -75.865 tors. eta vs tors. theta energy: -52.175 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 493 Temperature: 1.250000 Total energy: -809.314230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -809.314230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -809.314230 (E_RNA) where: Base-Base interactions energy: -387.570 where: short stacking energy: -194.637 Base-Backbone interact. energy: -1.106 local terms energy: -420.638767 where: bonds (distance) C4'-P energy: -108.559 bonds (distance) P-C4' energy: -117.175 flat angles C4'-P-C4' energy: -122.610 flat angles P-C4'-P energy: -69.253 tors. eta vs tors. theta energy: -3.042 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: 3 ===================================== Write number: 493 Temperature: 1.300000 Total energy: -645.535032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -645.535032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -645.535032 (E_RNA) where: Base-Base interactions energy: -283.640 where: short stacking energy: -159.147 Base-Backbone interact. energy: -2.009 local terms energy: -360.570924 where: bonds (distance) C4'-P energy: -115.311 bonds (distance) P-C4' energy: -115.101 flat angles C4'-P-C4' energy: -104.819 flat angles P-C4'-P energy: -45.240 tors. eta vs tors. theta energy: 19.900 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.685 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 493 Temperature: 1.350000 Total energy: -484.861459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -484.861459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -484.861459 (E_RNA) where: Base-Base interactions energy: -128.374 where: short stacking energy: -109.819 Base-Backbone interact. energy: 3.810 local terms energy: -360.463920 where: bonds (distance) C4'-P energy: -115.699 bonds (distance) P-C4' energy: -116.746 flat angles C4'-P-C4' energy: -96.911 flat angles P-C4'-P energy: -57.486 tors. eta vs tors. theta energy: 26.378 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.166 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 494 Temperature: 0.900000 Total energy: -2296.653463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2296.653463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2296.653463 (E_RNA) where: Base-Base interactions energy: -1590.707 where: short stacking energy: -639.608 Base-Backbone interact. energy: -1.036 local terms energy: -704.909719 where: bonds (distance) C4'-P energy: -129.178 bonds (distance) P-C4' energy: -131.172 flat angles C4'-P-C4' energy: -150.019 flat angles P-C4'-P energy: -89.075 tors. eta vs tors. theta energy: -205.466 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: 7 ===================================== Write number: 494 Temperature: 0.950000 Total energy: -2208.784594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2208.784594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2208.784594 (E_RNA) where: Base-Base interactions energy: -1500.880 where: short stacking energy: -642.539 Base-Backbone interact. energy: -1.719 local terms energy: -706.185569 where: bonds (distance) C4'-P energy: -122.566 bonds (distance) P-C4' energy: -120.710 flat angles C4'-P-C4' energy: -146.238 flat angles P-C4'-P energy: -104.083 tors. eta vs tors. theta energy: -212.588 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 494 Temperature: 1.000000 Total energy: -2178.830043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2178.830043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2178.830043 (E_RNA) where: Base-Base interactions energy: -1485.122 where: short stacking energy: -641.738 Base-Backbone interact. energy: 3.098 local terms energy: -696.806576 where: bonds (distance) C4'-P energy: -108.685 bonds (distance) P-C4' energy: -136.177 flat angles C4'-P-C4' energy: -153.776 flat angles P-C4'-P energy: -89.862 tors. eta vs tors. theta energy: -208.307 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: 2 ===================================== Write number: 494 Temperature: 1.050000 Total energy: -2036.729325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2036.729325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2036.729325 (E_RNA) where: Base-Base interactions energy: -1369.722 where: short stacking energy: -563.759 Base-Backbone interact. energy: 0.123 local terms energy: -667.130148 where: bonds (distance) C4'-P energy: -110.446 bonds (distance) P-C4' energy: -136.250 flat angles C4'-P-C4' energy: -147.568 flat angles P-C4'-P energy: -80.133 tors. eta vs tors. theta energy: -192.733 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 494 Temperature: 1.100000 Total energy: -1773.941327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1773.941327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1773.941327 (E_RNA) where: Base-Base interactions energy: -1158.868 where: short stacking energy: -535.332 Base-Backbone interact. energy: -1.779 local terms energy: -613.295073 where: bonds (distance) C4'-P energy: -123.371 bonds (distance) P-C4' energy: -124.323 flat angles C4'-P-C4' energy: -133.336 flat angles P-C4'-P energy: -72.334 tors. eta vs tors. theta energy: -159.931 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: 10 ===================================== Write number: 494 Temperature: 1.150000 Total energy: -1505.397041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1505.397041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1505.397041 (E_RNA) where: Base-Base interactions energy: -944.827 where: short stacking energy: -405.119 Base-Backbone interact. energy: -2.526 local terms energy: -558.043748 where: bonds (distance) C4'-P energy: -121.190 bonds (distance) P-C4' energy: -118.704 flat angles C4'-P-C4' energy: -138.055 flat angles P-C4'-P energy: -73.117 tors. eta vs tors. theta energy: -106.979 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: 1 ===================================== Write number: 494 Temperature: 1.200000 Total energy: -1254.175923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1254.175923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1254.175923 (E_RNA) where: Base-Base interactions energy: -760.754 where: short stacking energy: -353.745 Base-Backbone interact. energy: 3.217 local terms energy: -496.638933 where: bonds (distance) C4'-P energy: -110.613 bonds (distance) P-C4' energy: -108.101 flat angles C4'-P-C4' energy: -121.719 flat angles P-C4'-P energy: -90.753 tors. eta vs tors. theta energy: -65.453 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: 9 ===================================== Write number: 494 Temperature: 1.250000 Total energy: -818.066096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -818.066096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -818.066096 (E_RNA) where: Base-Base interactions energy: -447.366 where: short stacking energy: -222.639 Base-Backbone interact. energy: 2.798 local terms energy: -373.498150 where: bonds (distance) C4'-P energy: -95.857 bonds (distance) P-C4' energy: -113.629 flat angles C4'-P-C4' energy: -95.074 flat angles P-C4'-P energy: -48.740 tors. eta vs tors. theta energy: -20.198 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: 3 ===================================== Write number: 494 Temperature: 1.300000 Total energy: -632.975649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -632.975649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -632.975649 (E_RNA) where: Base-Base interactions energy: -264.155 where: short stacking energy: -162.608 Base-Backbone interact. energy: -0.513 local terms energy: -368.308319 where: bonds (distance) C4'-P energy: -99.245 bonds (distance) P-C4' energy: -116.463 flat angles C4'-P-C4' energy: -91.833 flat angles P-C4'-P energy: -66.452 tors. eta vs tors. theta energy: 5.683 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 494 Temperature: 1.350000 Total energy: -508.256557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -508.256557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -508.256557 (E_RNA) where: Base-Base interactions energy: -153.910 where: short stacking energy: -129.794 Base-Backbone interact. energy: 6.295 local terms energy: -360.642281 where: bonds (distance) C4'-P energy: -120.788 bonds (distance) P-C4' energy: -126.227 flat angles C4'-P-C4' energy: -89.442 flat angles P-C4'-P energy: -61.789 tors. eta vs tors. theta energy: 37.605 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: 8 ===================================== Write number: 495 Temperature: 0.900000 Total energy: -2299.159491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2299.159491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2299.159491 (E_RNA) where: Base-Base interactions energy: -1581.849 where: short stacking energy: -660.001 Base-Backbone interact. energy: -2.057 local terms energy: -715.253355 where: bonds (distance) C4'-P energy: -131.919 bonds (distance) P-C4' energy: -133.291 flat angles C4'-P-C4' energy: -148.868 flat angles P-C4'-P energy: -97.352 tors. eta vs tors. theta energy: -203.824 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 495 Temperature: 0.950000 Total energy: -2198.901862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2198.901862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2198.901862 (E_RNA) where: Base-Base interactions energy: -1463.800 where: short stacking energy: -637.857 Base-Backbone interact. energy: 2.613 local terms energy: -737.714682 where: bonds (distance) C4'-P energy: -133.764 bonds (distance) P-C4' energy: -130.369 flat angles C4'-P-C4' energy: -146.691 flat angles P-C4'-P energy: -111.420 tors. eta vs tors. theta energy: -215.471 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 495 Temperature: 1.000000 Total energy: -2176.836577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2176.836577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2176.836577 (E_RNA) where: Base-Base interactions energy: -1473.599 where: short stacking energy: -630.914 Base-Backbone interact. energy: -2.590 local terms energy: -700.647467 where: bonds (distance) C4'-P energy: -107.004 bonds (distance) P-C4' energy: -128.373 flat angles C4'-P-C4' energy: -147.671 flat angles P-C4'-P energy: -107.949 tors. eta vs tors. theta energy: -209.650 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 495 Temperature: 1.050000 Total energy: -2074.773593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2074.773593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2074.773593 (E_RNA) where: Base-Base interactions energy: -1416.943 where: short stacking energy: -583.732 Base-Backbone interact. energy: -0.883 local terms energy: -656.948211 where: bonds (distance) C4'-P energy: -119.007 bonds (distance) P-C4' energy: -123.678 flat angles C4'-P-C4' energy: -127.499 flat angles P-C4'-P energy: -93.515 tors. eta vs tors. theta energy: -193.249 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 495 Temperature: 1.100000 Total energy: -1744.588618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1744.588618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1744.588618 (E_RNA) where: Base-Base interactions energy: -1161.361 where: short stacking energy: -514.374 Base-Backbone interact. energy: -2.221 local terms energy: -581.007167 where: bonds (distance) C4'-P energy: -105.903 bonds (distance) P-C4' energy: -111.518 flat angles C4'-P-C4' energy: -119.215 flat angles P-C4'-P energy: -87.434 tors. eta vs tors. theta energy: -156.938 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 495 Temperature: 1.150000 Total energy: -1499.847233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1499.847233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1499.847233 (E_RNA) where: Base-Base interactions energy: -945.932 where: short stacking energy: -399.763 Base-Backbone interact. energy: -3.431 local terms energy: -550.484235 where: bonds (distance) C4'-P energy: -106.182 bonds (distance) P-C4' energy: -112.834 flat angles C4'-P-C4' energy: -133.884 flat angles P-C4'-P energy: -83.806 tors. eta vs tors. theta energy: -113.779 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 495 Temperature: 1.200000 Total energy: -1307.105605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1307.105605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1307.105605 (E_RNA) where: Base-Base interactions energy: -812.497 where: short stacking energy: -389.155 Base-Backbone interact. energy: -3.002 local terms energy: -492.045654 where: bonds (distance) C4'-P energy: -116.917 bonds (distance) P-C4' energy: -109.332 flat angles C4'-P-C4' energy: -95.506 flat angles P-C4'-P energy: -76.070 tors. eta vs tors. theta energy: -94.222 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.439 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 495 Temperature: 1.250000 Total energy: -762.451974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -762.451974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -762.451974 (E_RNA) where: Base-Base interactions energy: -354.665 where: short stacking energy: -191.895 Base-Backbone interact. energy: 1.069 local terms energy: -408.856026 where: bonds (distance) C4'-P energy: -104.845 bonds (distance) P-C4' energy: -120.321 flat angles C4'-P-C4' energy: -108.789 flat angles P-C4'-P energy: -75.352 tors. eta vs tors. theta energy: 0.450 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: 3 ===================================== Write number: 495 Temperature: 1.300000 Total energy: -626.276932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -626.276932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -626.276932 (E_RNA) where: Base-Base interactions energy: -263.154 where: short stacking energy: -149.810 Base-Backbone interact. energy: -1.052 local terms energy: -362.071007 where: bonds (distance) C4'-P energy: -111.145 bonds (distance) P-C4' energy: -106.404 flat angles C4'-P-C4' energy: -106.133 flat angles P-C4'-P energy: -64.641 tors. eta vs tors. theta energy: 26.251 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 495 Temperature: 1.350000 Total energy: -537.080354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -537.080354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -537.080354 (E_RNA) where: Base-Base interactions energy: -208.052 where: short stacking energy: -141.571 Base-Backbone interact. energy: -2.543 local terms energy: -326.485486 where: bonds (distance) C4'-P energy: -103.461 bonds (distance) P-C4' energy: -109.897 flat angles C4'-P-C4' energy: -83.536 flat angles P-C4'-P energy: -62.428 tors. eta vs tors. theta energy: 32.837 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 496 Temperature: 0.900000 Total energy: -2277.114588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2277.114588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2277.114588 (E_RNA) where: Base-Base interactions energy: -1554.823 where: short stacking energy: -634.719 Base-Backbone interact. energy: 2.535 local terms energy: -724.827082 where: bonds (distance) C4'-P energy: -127.890 bonds (distance) P-C4' energy: -141.900 flat angles C4'-P-C4' energy: -138.861 flat angles P-C4'-P energy: -103.967 tors. eta vs tors. theta energy: -212.209 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 496 Temperature: 0.950000 Total energy: -2246.570560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2246.570560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2246.570560 (E_RNA) where: Base-Base interactions energy: -1516.414 where: short stacking energy: -635.700 Base-Backbone interact. energy: -0.052 local terms energy: -730.104840 where: bonds (distance) C4'-P energy: -141.228 bonds (distance) P-C4' energy: -137.199 flat angles C4'-P-C4' energy: -142.445 flat angles P-C4'-P energy: -102.192 tors. eta vs tors. theta energy: -207.041 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: 3, replica: 2 ===================================== Write number: 496 Temperature: 1.000000 Total energy: -2189.172572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2189.172572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2189.172572 (E_RNA) where: Base-Base interactions energy: -1452.122 where: short stacking energy: -624.816 Base-Backbone interact. energy: -1.648 local terms energy: -735.401810 where: bonds (distance) C4'-P energy: -141.267 bonds (distance) P-C4' energy: -140.887 flat angles C4'-P-C4' energy: -152.923 flat angles P-C4'-P energy: -98.091 tors. eta vs tors. theta energy: -202.233 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: 496 Temperature: 1.050000 Total energy: -2103.668364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2103.668364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2103.668364 (E_RNA) where: Base-Base interactions energy: -1455.866 where: short stacking energy: -607.858 Base-Backbone interact. energy: -1.337 local terms energy: -646.465282 where: bonds (distance) C4'-P energy: -118.349 bonds (distance) P-C4' energy: -108.221 flat angles C4'-P-C4' energy: -144.837 flat angles P-C4'-P energy: -89.780 tors. eta vs tors. theta energy: -185.278 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: 5 ===================================== Write number: 496 Temperature: 1.100000 Total energy: -1836.077232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1836.077232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1836.077232 (E_RNA) where: Base-Base interactions energy: -1207.725 where: short stacking energy: -556.624 Base-Backbone interact. energy: -2.557 local terms energy: -625.795122 where: bonds (distance) C4'-P energy: -118.587 bonds (distance) P-C4' energy: -125.453 flat angles C4'-P-C4' energy: -118.575 flat angles P-C4'-P energy: -95.456 tors. eta vs tors. theta energy: -167.724 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: 10 ===================================== Write number: 496 Temperature: 1.150000 Total energy: -1549.946524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1549.946524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1549.946524 (E_RNA) where: Base-Base interactions energy: -989.122 where: short stacking energy: -447.922 Base-Backbone interact. energy: -3.848 local terms energy: -556.976328 where: bonds (distance) C4'-P energy: -114.022 bonds (distance) P-C4' energy: -113.867 flat angles C4'-P-C4' energy: -130.409 flat angles P-C4'-P energy: -89.600 tors. eta vs tors. theta energy: -109.079 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: 1 ===================================== Write number: 496 Temperature: 1.200000 Total energy: -1248.160268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1248.160268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1248.160268 (E_RNA) where: Base-Base interactions energy: -757.925 where: short stacking energy: -358.366 Base-Backbone interact. energy: 3.278 local terms energy: -493.512831 where: bonds (distance) C4'-P energy: -125.857 bonds (distance) P-C4' energy: -109.727 flat angles C4'-P-C4' energy: -121.492 flat angles P-C4'-P energy: -65.000 tors. eta vs tors. theta energy: -71.437 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: 9 ===================================== Write number: 496 Temperature: 1.250000 Total energy: -761.919023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -761.919023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -761.919023 (E_RNA) where: Base-Base interactions energy: -374.587 where: short stacking energy: -213.150 Base-Backbone interact. energy: -2.120 local terms energy: -385.212094 where: bonds (distance) C4'-P energy: -117.424 bonds (distance) P-C4' energy: -110.023 flat angles C4'-P-C4' energy: -109.651 flat angles P-C4'-P energy: -52.640 tors. eta vs tors. theta energy: 4.526 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 496 Temperature: 1.300000 Total energy: -543.236453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -543.236453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -543.236453 (E_RNA) where: Base-Base interactions energy: -167.547 where: short stacking energy: -138.928 Base-Backbone interact. energy: 4.031 local terms energy: -379.719989 where: bonds (distance) C4'-P energy: -101.979 bonds (distance) P-C4' energy: -119.504 flat angles C4'-P-C4' energy: -99.435 flat angles P-C4'-P energy: -66.757 tors. eta vs tors. theta energy: 7.954 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: 10, replica: 3 ===================================== Write number: 496 Temperature: 1.350000 Total energy: -605.735738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -605.735738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -605.735738 (E_RNA) where: Base-Base interactions energy: -254.094 where: short stacking energy: -160.988 Base-Backbone interact. energy: -1.547 local terms energy: -350.094602 where: bonds (distance) C4'-P energy: -116.662 bonds (distance) P-C4' energy: -97.126 flat angles C4'-P-C4' energy: -85.257 flat angles P-C4'-P energy: -63.806 tors. eta vs tors. theta energy: 12.756 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: 8 ===================================== Write number: 497 Temperature: 0.900000 Total energy: -2307.452705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2307.452705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2307.452705 (E_RNA) where: Base-Base interactions energy: -1574.068 where: short stacking energy: -647.637 Base-Backbone interact. energy: -3.218 local terms energy: -730.166623 where: bonds (distance) C4'-P energy: -134.744 bonds (distance) P-C4' energy: -138.338 flat angles C4'-P-C4' energy: -142.788 flat angles P-C4'-P energy: -110.293 tors. eta vs tors. theta energy: -204.003 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: 7 ===================================== Write number: 497 Temperature: 0.950000 Total energy: -2189.923062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2189.923062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2189.923062 (E_RNA) where: Base-Base interactions energy: -1481.100 where: short stacking energy: -626.862 Base-Backbone interact. energy: 1.543 local terms energy: -710.365697 where: bonds (distance) C4'-P energy: -130.018 bonds (distance) P-C4' energy: -131.841 flat angles C4'-P-C4' energy: -136.548 flat angles P-C4'-P energy: -112.187 tors. eta vs tors. theta energy: -199.771 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 497 Temperature: 1.000000 Total energy: -2110.447860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2110.447860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2110.447860 (E_RNA) where: Base-Base interactions energy: -1423.173 where: short stacking energy: -580.692 Base-Backbone interact. energy: -0.213 local terms energy: -687.062265 where: bonds (distance) C4'-P energy: -126.457 bonds (distance) P-C4' energy: -133.213 flat angles C4'-P-C4' energy: -140.749 flat angles P-C4'-P energy: -94.928 tors. eta vs tors. theta energy: -191.715 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 497 Temperature: 1.050000 Total energy: -2087.746014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2087.746014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2087.746014 (E_RNA) where: Base-Base interactions energy: -1447.397 where: short stacking energy: -594.785 Base-Backbone interact. energy: -1.195 local terms energy: -639.153309 where: bonds (distance) C4'-P energy: -106.596 bonds (distance) P-C4' energy: -118.882 flat angles C4'-P-C4' energy: -140.407 flat angles P-C4'-P energy: -82.052 tors. eta vs tors. theta energy: -191.217 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 497 Temperature: 1.100000 Total energy: -1792.807083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1792.807083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1792.807083 (E_RNA) where: Base-Base interactions energy: -1204.449 where: short stacking energy: -531.576 Base-Backbone interact. energy: -1.604 local terms energy: -586.753961 where: bonds (distance) C4'-P energy: -109.356 bonds (distance) P-C4' energy: -103.645 flat angles C4'-P-C4' energy: -125.510 flat angles P-C4'-P energy: -81.216 tors. eta vs tors. theta energy: -167.027 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 497 Temperature: 1.150000 Total energy: -1525.784394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1525.784394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1525.784394 (E_RNA) where: Base-Base interactions energy: -1001.817 where: short stacking energy: -422.676 Base-Backbone interact. energy: -0.683 local terms energy: -523.284637 where: bonds (distance) C4'-P energy: -116.739 bonds (distance) P-C4' energy: -103.739 flat angles C4'-P-C4' energy: -124.594 flat angles P-C4'-P energy: -76.084 tors. eta vs tors. theta energy: -102.127 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: 1 ===================================== Write number: 497 Temperature: 1.200000 Total energy: -1278.893601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1278.893601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1278.893601 (E_RNA) where: Base-Base interactions energy: -772.843 where: short stacking energy: -329.242 Base-Backbone interact. energy: 2.365 local terms energy: -508.415601 where: bonds (distance) C4'-P energy: -113.508 bonds (distance) P-C4' energy: -112.534 flat angles C4'-P-C4' energy: -128.061 flat angles P-C4'-P energy: -82.717 tors. eta vs tors. theta energy: -71.596 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 497 Temperature: 1.250000 Total energy: -828.557919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -828.557919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -828.557919 (E_RNA) where: Base-Base interactions energy: -385.010 where: short stacking energy: -209.988 Base-Backbone interact. energy: 1.173 local terms energy: -444.721552 where: bonds (distance) C4'-P energy: -112.010 bonds (distance) P-C4' energy: -141.074 flat angles C4'-P-C4' energy: -104.609 flat angles P-C4'-P energy: -76.237 tors. eta vs tors. theta energy: -10.791 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 497 Temperature: 1.300000 Total energy: -532.395250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -532.395250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -532.395250 (E_RNA) where: Base-Base interactions energy: -196.629 where: short stacking energy: -141.489 Base-Backbone interact. energy: 7.347 local terms energy: -343.113501 where: bonds (distance) C4'-P energy: -116.604 bonds (distance) P-C4' energy: -121.451 flat angles C4'-P-C4' energy: -73.843 flat angles P-C4'-P energy: -58.518 tors. eta vs tors. theta energy: 27.302 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: 10, replica: 3 ===================================== Write number: 497 Temperature: 1.350000 Total energy: -621.462484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -621.462484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -621.462484 (E_RNA) where: Base-Base interactions energy: -235.912 where: short stacking energy: -146.998 Base-Backbone interact. energy: -3.153 local terms energy: -382.397704 where: bonds (distance) C4'-P energy: -120.677 bonds (distance) P-C4' energy: -114.197 flat angles C4'-P-C4' energy: -105.235 flat angles P-C4'-P energy: -53.964 tors. eta vs tors. theta energy: 11.675 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 498 Temperature: 0.900000 Total energy: -2273.169984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2273.169984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2273.169984 (E_RNA) where: Base-Base interactions energy: -1578.291 where: short stacking energy: -654.201 Base-Backbone interact. energy: 0.158 local terms energy: -695.037756 where: bonds (distance) C4'-P energy: -123.955 bonds (distance) P-C4' energy: -116.247 flat angles C4'-P-C4' energy: -146.115 flat angles P-C4'-P energy: -102.814 tors. eta vs tors. theta energy: -205.906 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 498 Temperature: 0.950000 Total energy: -2181.567368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2181.567368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2181.567368 (E_RNA) where: Base-Base interactions energy: -1458.638 where: short stacking energy: -634.602 Base-Backbone interact. energy: 0.014 local terms energy: -722.943618 where: bonds (distance) C4'-P energy: -135.088 bonds (distance) P-C4' energy: -138.896 flat angles C4'-P-C4' energy: -144.286 flat angles P-C4'-P energy: -99.884 tors. eta vs tors. theta energy: -204.790 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: 2 ===================================== Write number: 498 Temperature: 1.000000 Total energy: -2166.264631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2166.264631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2166.264631 (E_RNA) where: Base-Base interactions energy: -1495.896 where: short stacking energy: -631.524 Base-Backbone interact. energy: 3.493 local terms energy: -673.861007 where: bonds (distance) C4'-P energy: -111.592 bonds (distance) P-C4' energy: -125.295 flat angles C4'-P-C4' energy: -146.527 flat angles P-C4'-P energy: -86.393 tors. eta vs tors. theta energy: -204.054 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: 6 ===================================== Write number: 498 Temperature: 1.050000 Total energy: -2092.902101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2092.902101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2092.902101 (E_RNA) where: Base-Base interactions energy: -1462.896 where: short stacking energy: -604.825 Base-Backbone interact. energy: -2.525 local terms energy: -627.480488 where: bonds (distance) C4'-P energy: -119.626 bonds (distance) P-C4' energy: -113.349 flat angles C4'-P-C4' energy: -137.243 flat angles P-C4'-P energy: -68.581 tors. eta vs tors. theta energy: -188.681 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: 5 ===================================== Write number: 498 Temperature: 1.100000 Total energy: -1831.232173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1831.232173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1831.232173 (E_RNA) where: Base-Base interactions energy: -1221.156 where: short stacking energy: -523.192 Base-Backbone interact. energy: -1.199 local terms energy: -608.877090 where: bonds (distance) C4'-P energy: -110.661 bonds (distance) P-C4' energy: -117.160 flat angles C4'-P-C4' energy: -139.298 flat angles P-C4'-P energy: -92.143 tors. eta vs tors. theta energy: -149.615 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: 10 ===================================== Write number: 498 Temperature: 1.150000 Total energy: -1521.844090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1521.844090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1521.844090 (E_RNA) where: Base-Base interactions energy: -970.152 where: short stacking energy: -447.889 Base-Backbone interact. energy: 0.822 local terms energy: -552.514319 where: bonds (distance) C4'-P energy: -109.820 bonds (distance) P-C4' energy: -121.234 flat angles C4'-P-C4' energy: -117.658 flat angles P-C4'-P energy: -84.276 tors. eta vs tors. theta energy: -119.527 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 498 Temperature: 1.200000 Total energy: -1282.090593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1282.090593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1282.090593 (E_RNA) where: Base-Base interactions energy: -780.456 where: short stacking energy: -371.340 Base-Backbone interact. energy: -3.979 local terms energy: -497.655546 where: bonds (distance) C4'-P energy: -118.516 bonds (distance) P-C4' energy: -117.538 flat angles C4'-P-C4' energy: -118.212 flat angles P-C4'-P energy: -58.948 tors. eta vs tors. theta energy: -84.441 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 498 Temperature: 1.250000 Total energy: -881.473911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -881.473911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -881.473911 (E_RNA) where: Base-Base interactions energy: -486.364 where: short stacking energy: -241.683 Base-Backbone interact. energy: 0.254 local terms energy: -395.364420 where: bonds (distance) C4'-P energy: -105.206 bonds (distance) P-C4' energy: -103.134 flat angles C4'-P-C4' energy: -115.603 flat angles P-C4'-P energy: -56.932 tors. eta vs tors. theta energy: -14.490 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 498 Temperature: 1.300000 Total energy: -642.564929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -642.564929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -642.564929 (E_RNA) where: Base-Base interactions energy: -309.553 where: short stacking energy: -195.225 Base-Backbone interact. energy: -2.490 local terms energy: -330.521017 where: bonds (distance) C4'-P energy: -93.651 bonds (distance) P-C4' energy: -101.140 flat angles C4'-P-C4' energy: -93.879 flat angles P-C4'-P energy: -50.515 tors. eta vs tors. theta energy: 8.664 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 498 Temperature: 1.350000 Total energy: -519.340775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -519.340775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -519.340775 (E_RNA) where: Base-Base interactions energy: -202.003 where: short stacking energy: -137.010 Base-Backbone interact. energy: 0.473 local terms energy: -317.811003 where: bonds (distance) C4'-P energy: -91.152 bonds (distance) P-C4' energy: -97.056 flat angles C4'-P-C4' energy: -95.596 flat angles P-C4'-P energy: -54.455 tors. eta vs tors. theta energy: 20.448 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: 8 ===================================== Write number: 499 Temperature: 0.900000 Total energy: -2297.422006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2297.422006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2297.422006 (E_RNA) where: Base-Base interactions energy: -1553.177 where: short stacking energy: -633.557 Base-Backbone interact. energy: -2.282 local terms energy: -741.963037 where: bonds (distance) C4'-P energy: -134.239 bonds (distance) P-C4' energy: -131.531 flat angles C4'-P-C4' energy: -152.925 flat angles P-C4'-P energy: -107.018 tors. eta vs tors. theta energy: -216.250 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 499 Temperature: 0.950000 Total energy: -2209.414531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2209.414531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2209.414531 (E_RNA) where: Base-Base interactions energy: -1481.194 where: short stacking energy: -638.019 Base-Backbone interact. energy: -1.866 local terms energy: -726.354776 where: bonds (distance) C4'-P energy: -137.023 bonds (distance) P-C4' energy: -133.734 flat angles C4'-P-C4' energy: -146.834 flat angles P-C4'-P energy: -102.629 tors. eta vs tors. theta energy: -206.135 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: 2 ===================================== Write number: 499 Temperature: 1.000000 Total energy: -2178.527940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2178.527940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2178.527940 (E_RNA) where: Base-Base interactions energy: -1501.529 where: short stacking energy: -628.786 Base-Backbone interact. energy: -1.493 local terms energy: -675.506189 where: bonds (distance) C4'-P energy: -130.743 bonds (distance) P-C4' energy: -117.241 flat angles C4'-P-C4' energy: -140.212 flat angles P-C4'-P energy: -89.596 tors. eta vs tors. theta energy: -197.714 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 499 Temperature: 1.050000 Total energy: -2120.140683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2120.140683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2120.140683 (E_RNA) where: Base-Base interactions energy: -1424.162 where: short stacking energy: -607.939 Base-Backbone interact. energy: -1.294 local terms energy: -694.684810 where: bonds (distance) C4'-P energy: -136.376 bonds (distance) P-C4' energy: -131.805 flat angles C4'-P-C4' energy: -146.726 flat angles P-C4'-P energy: -90.302 tors. eta vs tors. theta energy: -189.476 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: 5 ===================================== Write number: 499 Temperature: 1.100000 Total energy: -1875.629280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1875.629280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1875.629280 (E_RNA) where: Base-Base interactions energy: -1226.242 where: short stacking energy: -538.802 Base-Backbone interact. energy: -1.913 local terms energy: -647.474399 where: bonds (distance) C4'-P energy: -128.415 bonds (distance) P-C4' energy: -123.961 flat angles C4'-P-C4' energy: -142.983 flat angles P-C4'-P energy: -87.772 tors. eta vs tors. theta energy: -164.343 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: 10 ===================================== Write number: 499 Temperature: 1.150000 Total energy: -1585.908423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1585.908423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1585.908423 (E_RNA) where: Base-Base interactions energy: -1051.521 where: short stacking energy: -446.764 Base-Backbone interact. energy: -1.033 local terms energy: -533.354128 where: bonds (distance) C4'-P energy: -113.274 bonds (distance) P-C4' energy: -90.418 flat angles C4'-P-C4' energy: -125.702 flat angles P-C4'-P energy: -77.082 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: 7, replica: 1 ===================================== Write number: 499 Temperature: 1.200000 Total energy: -1353.097390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1353.097390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1353.097390 (E_RNA) where: Base-Base interactions energy: -822.656 where: short stacking energy: -387.638 Base-Backbone interact. energy: -3.859 local terms energy: -526.582472 where: bonds (distance) C4'-P energy: -115.679 bonds (distance) P-C4' energy: -126.968 flat angles C4'-P-C4' energy: -114.863 flat angles P-C4'-P energy: -74.047 tors. eta vs tors. theta energy: -95.026 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 499 Temperature: 1.250000 Total energy: -857.152547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -857.152547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -857.152547 (E_RNA) where: Base-Base interactions energy: -430.767 where: short stacking energy: -210.716 Base-Backbone interact. energy: -2.279 local terms energy: -424.107110 where: bonds (distance) C4'-P energy: -106.689 bonds (distance) P-C4' energy: -114.623 flat angles C4'-P-C4' energy: -131.857 flat angles P-C4'-P energy: -51.103 tors. eta vs tors. theta energy: -19.835 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: 9, replica: 3 ===================================== Write number: 499 Temperature: 1.300000 Total energy: -642.799012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -642.799012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -642.799012 (E_RNA) where: Base-Base interactions energy: -288.066 where: short stacking energy: -180.070 Base-Backbone interact. energy: 4.488 local terms energy: -359.220802 where: bonds (distance) C4'-P energy: -112.736 bonds (distance) P-C4' energy: -108.872 flat angles C4'-P-C4' energy: -89.063 flat angles P-C4'-P energy: -56.032 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: 4 ===================================== Write number: 499 Temperature: 1.350000 Total energy: -491.760254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -491.760254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -491.760254 (E_RNA) where: Base-Base interactions energy: -154.174 where: short stacking energy: -102.785 Base-Backbone interact. energy: -4.591 local terms energy: -332.994897 where: bonds (distance) C4'-P energy: -101.135 bonds (distance) P-C4' energy: -117.979 flat angles C4'-P-C4' energy: -91.908 flat angles P-C4'-P energy: -57.544 tors. eta vs tors. theta energy: 35.570 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: 1, replica: 8 ===================================== Write number: 500 Temperature: 0.900000 Total energy: -2289.291309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2289.291309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2289.291309 (E_RNA) where: Base-Base interactions energy: -1576.968 where: short stacking energy: -638.833 Base-Backbone interact. energy: -2.094 local terms energy: -710.229762 where: bonds (distance) C4'-P energy: -122.823 bonds (distance) P-C4' energy: -135.764 flat angles C4'-P-C4' energy: -140.696 flat angles P-C4'-P energy: -98.173 tors. eta vs tors. theta energy: -212.774 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: 7 ===================================== Write number: 500 Temperature: 0.950000 Total energy: -2188.941017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2188.941017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2188.941017 (E_RNA) where: Base-Base interactions energy: -1514.291 where: short stacking energy: -643.940 Base-Backbone interact. energy: -0.588 local terms energy: -674.061875 where: bonds (distance) C4'-P energy: -115.699 bonds (distance) P-C4' energy: -118.816 flat angles C4'-P-C4' energy: -140.665 flat angles P-C4'-P energy: -94.994 tors. eta vs tors. theta energy: -203.887 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 500 Temperature: 1.000000 Total energy: -2146.484800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2146.484800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2146.484800 (E_RNA) where: Base-Base interactions energy: -1466.500 where: short stacking energy: -584.689 Base-Backbone interact. energy: -3.462 local terms energy: -676.523174 where: bonds (distance) C4'-P energy: -124.294 bonds (distance) P-C4' energy: -118.939 flat angles C4'-P-C4' energy: -149.943 flat angles P-C4'-P energy: -96.924 tors. eta vs tors. theta energy: -186.423 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 500 Temperature: 1.050000 Total energy: -2148.333005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2148.333005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2148.333005 (E_RNA) where: Base-Base interactions energy: -1468.615 where: short stacking energy: -629.138 Base-Backbone interact. energy: 0.241 local terms energy: -679.958984 where: bonds (distance) C4'-P energy: -124.726 bonds (distance) P-C4' energy: -123.925 flat angles C4'-P-C4' energy: -142.851 flat angles P-C4'-P energy: -90.610 tors. eta vs tors. theta energy: -197.847 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 500 Temperature: 1.100000 Total energy: -1866.180195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1866.180195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1866.180195 (E_RNA) where: Base-Base interactions energy: -1221.248 where: short stacking energy: -517.457 Base-Backbone interact. energy: 1.125 local terms energy: -646.057143 where: bonds (distance) C4'-P energy: -131.498 bonds (distance) P-C4' energy: -139.759 flat angles C4'-P-C4' energy: -133.424 flat angles P-C4'-P energy: -75.486 tors. eta vs tors. theta energy: -165.890 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 500 Temperature: 1.150000 Total energy: -1576.140120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1576.140120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1576.140120 (E_RNA) where: Base-Base interactions energy: -1034.251 where: short stacking energy: -431.340 Base-Backbone interact. energy: -2.005 local terms energy: -539.883913 where: bonds (distance) C4'-P energy: -115.323 bonds (distance) P-C4' energy: -118.027 flat angles C4'-P-C4' energy: -120.024 flat angles P-C4'-P energy: -73.838 tors. eta vs tors. theta energy: -112.673 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 500 Temperature: 1.200000 Total energy: -1343.101459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1343.101459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1343.101459 (E_RNA) where: Base-Base interactions energy: -857.200 where: short stacking energy: -388.362 Base-Backbone interact. energy: 7.620 local terms energy: -493.521392 where: bonds (distance) C4'-P energy: -118.364 bonds (distance) P-C4' energy: -109.766 flat angles C4'-P-C4' energy: -111.848 flat angles P-C4'-P energy: -76.261 tors. eta vs tors. theta energy: -77.283 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 500 Temperature: 1.250000 Total energy: -834.637705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -834.637705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -834.637705 (E_RNA) where: Base-Base interactions energy: -420.512 where: short stacking energy: -196.090 Base-Backbone interact. energy: -0.639 local terms energy: -413.486695 where: bonds (distance) C4'-P energy: -110.814 bonds (distance) P-C4' energy: -125.678 flat angles C4'-P-C4' energy: -105.127 flat angles P-C4'-P energy: -53.905 tors. eta vs tors. theta energy: -17.963 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 500 Temperature: 1.300000 Total energy: -630.757333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -630.757333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -630.757333 (E_RNA) where: Base-Base interactions energy: -243.136 where: short stacking energy: -169.439 Base-Backbone interact. energy: -0.153 local terms energy: -387.468007 where: bonds (distance) C4'-P energy: -105.811 bonds (distance) P-C4' energy: -124.830 flat angles C4'-P-C4' energy: -99.083 flat angles P-C4'-P energy: -57.953 tors. eta vs tors. theta energy: 0.208 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 500 Temperature: 1.350000 Total energy: -541.431682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -541.431682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -541.431682 (E_RNA) where: Base-Base interactions energy: -206.181 where: short stacking energy: -133.636 Base-Backbone interact. energy: 0.202 local terms energy: -335.452423 where: bonds (distance) C4'-P energy: -110.875 bonds (distance) P-C4' energy: -94.425 flat angles C4'-P-C4' energy: -115.164 flat angles P-C4'-P energy: -52.362 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: 1, replica: 8 ===================================== Write number: 501 Temperature: 0.900000 Total energy: -2280.229106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2280.229106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2280.229106 (E_RNA) where: Base-Base interactions energy: -1535.743 where: short stacking energy: -638.550 Base-Backbone interact. energy: -1.071 local terms energy: -743.414908 where: bonds (distance) C4'-P energy: -140.193 bonds (distance) P-C4' energy: -138.775 flat angles C4'-P-C4' energy: -153.119 flat angles P-C4'-P energy: -96.563 tors. eta vs tors. theta energy: -214.766 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 501 Temperature: 0.950000 Total energy: -2228.056665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2228.056665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2228.056665 (E_RNA) where: Base-Base interactions energy: -1514.686 where: short stacking energy: -624.005 Base-Backbone interact. energy: -2.083 local terms energy: -711.286928 where: bonds (distance) C4'-P energy: -133.060 bonds (distance) P-C4' energy: -124.710 flat angles C4'-P-C4' energy: -148.561 flat angles P-C4'-P energy: -96.033 tors. eta vs tors. theta energy: -208.922 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 501 Temperature: 1.000000 Total energy: -2169.181777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2169.181777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2169.181777 (E_RNA) where: Base-Base interactions energy: -1465.844 where: short stacking energy: -601.561 Base-Backbone interact. energy: -2.738 local terms energy: -700.599812 where: bonds (distance) C4'-P energy: -124.810 bonds (distance) P-C4' energy: -140.277 flat angles C4'-P-C4' energy: -142.155 flat angles P-C4'-P energy: -92.515 tors. eta vs tors. theta energy: -200.843 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: 6 ===================================== Write number: 501 Temperature: 1.050000 Total energy: -2104.864417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2104.864417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2104.864417 (E_RNA) where: Base-Base interactions energy: -1415.925 where: short stacking energy: -607.810 Base-Backbone interact. energy: -0.774 local terms energy: -688.165786 where: bonds (distance) C4'-P energy: -118.664 bonds (distance) P-C4' energy: -136.197 flat angles C4'-P-C4' energy: -148.311 flat angles P-C4'-P energy: -88.997 tors. eta vs tors. theta energy: -195.997 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 501 Temperature: 1.100000 Total energy: -1849.705221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1849.705221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1849.705221 (E_RNA) where: Base-Base interactions energy: -1237.925 where: short stacking energy: -521.134 Base-Backbone interact. energy: -1.826 local terms energy: -609.954402 where: bonds (distance) C4'-P energy: -118.009 bonds (distance) P-C4' energy: -117.659 flat angles C4'-P-C4' energy: -128.329 flat angles P-C4'-P energy: -86.543 tors. eta vs tors. theta energy: -159.415 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: 10 ===================================== Write number: 501 Temperature: 1.150000 Total energy: -1573.729915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1573.729915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1573.729915 (E_RNA) where: Base-Base interactions energy: -994.672 where: short stacking energy: -433.050 Base-Backbone interact. energy: -2.493 local terms energy: -576.565353 where: bonds (distance) C4'-P energy: -133.043 bonds (distance) P-C4' energy: -128.737 flat angles C4'-P-C4' energy: -123.633 flat angles P-C4'-P energy: -72.491 tors. eta vs tors. theta energy: -118.662 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 501 Temperature: 1.200000 Total energy: -1283.474124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1283.474124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1283.474124 (E_RNA) where: Base-Base interactions energy: -726.622 where: short stacking energy: -344.477 Base-Backbone interact. energy: -1.034 local terms energy: -555.818990 where: bonds (distance) C4'-P energy: -114.947 bonds (distance) P-C4' energy: -125.789 flat angles C4'-P-C4' energy: -134.475 flat angles P-C4'-P energy: -77.778 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: 8, replica: 9 ===================================== Write number: 501 Temperature: 1.250000 Total energy: -884.607801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -884.607801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -884.607801 (E_RNA) where: Base-Base interactions energy: -495.355 where: short stacking energy: -246.873 Base-Backbone interact. energy: -6.421 local terms energy: -382.831805 where: bonds (distance) C4'-P energy: -113.363 bonds (distance) P-C4' energy: -114.346 flat angles C4'-P-C4' energy: -105.865 flat angles P-C4'-P energy: -29.087 tors. eta vs tors. theta energy: -20.170 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 501 Temperature: 1.300000 Total energy: -643.383591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -643.383591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -643.383591 (E_RNA) where: Base-Base interactions energy: -289.936 where: short stacking energy: -183.288 Base-Backbone interact. energy: -3.642 local terms energy: -349.806220 where: bonds (distance) C4'-P energy: -104.377 bonds (distance) P-C4' energy: -102.207 flat angles C4'-P-C4' energy: -90.276 flat angles P-C4'-P energy: -55.673 tors. eta vs tors. theta energy: 2.727 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: 4 ===================================== Write number: 501 Temperature: 1.350000 Total energy: -530.824722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -530.824722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -530.824722 (E_RNA) where: Base-Base interactions energy: -200.505 where: short stacking energy: -119.367 Base-Backbone interact. energy: 2.422 local terms energy: -332.742196 where: bonds (distance) C4'-P energy: -116.218 bonds (distance) P-C4' energy: -125.428 flat angles C4'-P-C4' energy: -76.853 flat angles P-C4'-P energy: -50.832 tors. eta vs tors. theta energy: 36.588 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) replica 8 ended at temp. level: 1, temp: 0.900000 for this replica: moves confirmed at first: 122679072 moves confirmed later: 137318148 all moves confirmed: 259997220 percent of confirmed moves: 32.499653 current total energy: -2216.797168 recalc. total energy: -2216.797168 replica 7 ended at temp. level: 2, temp: 0.950000 for this replica: moves confirmed at first: 144509092 moves confirmed later: 165181690 all moves confirmed: 309690782 percent of confirmed moves: 38.711348 current total energy: -2108.352747 recalc. total energy: -2108.352747 replica 6 ended at temp. level: 3, temp: 1.000000 for this replica: moves confirmed at first: 117957907 moves confirmed later: 130577653 all moves confirmed: 248535560 percent of confirmed moves: 31.066945 current total energy: -2009.148657 recalc. total energy: -2009.148657 replica 2 ended at temp. level: 4, temp: 1.050000 for this replica: moves confirmed at first: 119307738 moves confirmed later: 133123258 all moves confirmed: 252430996 percent of confirmed moves: 31.553874 current total energy: -1926.649991 recalc. total energy: -1926.649991 replica 5 ended at temp. level: 5, temp: 1.100000 for this replica: moves confirmed at first: 120125621 moves confirmed later: 133221505 all moves confirmed: 253347126 percent of confirmed moves: 31.668391 current total energy: -1735.341442 recalc. total energy: -1735.341442 replica 10 ended at temp. level: 6, temp: 1.150000 for this replica: moves confirmed at first: 137218309 moves confirmed later: 156455848 all moves confirmed: 293674157 percent of confirmed moves: 36.709270 current total energy: -1416.933916 recalc. total energy: -1416.933916 replica 1 ended at temp. level: 7, temp: 1.200000 for this replica: moves confirmed at first: 204009641 moves confirmed later: 242340140 all moves confirmed: 446349781 percent of confirmed moves: 55.793723 current total energy: -1145.588322 recalc. total energy: -1145.588322 replica 9 ended at temp. level: 8, temp: 1.250000 for this replica: moves confirmed at first: 254719111 moves confirmed later: 308993553 all moves confirmed: 563712664 percent of confirmed moves: 70.464083 current total energy: -727.532006 recalc. total energy: -727.532006 replica 4 ended at temp. level: 9, temp: 1.300000 for this replica: moves confirmed at first: 228804735 moves confirmed later: 274996554 all moves confirmed: 503801289 percent of confirmed moves: 62.975161 current total energy: -451.058904 recalc. total energy: -451.058904 replica 3 ended at temp. level: 10, temp: 1.350000 for this replica: moves confirmed at first: 244853259 moves confirmed later: 296083063 all moves confirmed: 540936322 percent of confirmed moves: 67.617040 current total energy: -501.081576 recalc. total energy: -501.081576 out arg RESULTS//1/Asp-GTC-1_ENSG000000-f51776e9_01 Time of doing 8000000 iterations: 38929.368 seconds